Å between pairs of inversion-related molecules.The title compound, [Mn(C al. 2006. Inorg.  DOI: 10.1107/S1600536810048270/lh5164Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers.In the title compound, [Zn(CH DOI: 10.1107/S1600536812017564/su2407Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Weak cation-to-anion C—H⋯Cl interactions generate a three-dimensional network.In the crystal structure of the title molecular salt, (C DOI: 10.1107/S1600536811048823/hb6492Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The piperazine-1,4-dicarbodithioate linker has an almost ideal chair conformation. The geometry about the gold atoms is severely distorted tetrahedral punctuated by a very acute S—Au—S bite angle.In the title compound, [Au DOI: 10.1107/S1600536811044229/ng5253Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Its structure is isotypic with the MnII, FeII, CoII, NiII, CuII and ZnII analogues. The MgII cation has a slightly distorted octahedral geometry containing four N atoms from two 1,10-phenanthroline molecules and two N atoms from two thiocyanate anions. The asymmetric unit contains one-half molecule, and the complete complex has 2 symmetry.The title compound, [Mg(NCS) DOI: 10.1107/S1600536810027054/bh2298Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular C—H⋯π interactions are observed in the crystal structure.In the title compound, [Cd(C DOI: 10.1107/S1600536812038433/hy2583Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812038433/hy2583Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The benzene solvent molecule is located about a crystallographic inversion centre. The title complex is isostructural with trans-dichloridobis(triphenylphosphane)palladium(II) 1,4-dichlorobenzene sesquisolvate .The title complex, [PdCl al. 1983. Acta Cr DOI: 10.1107/S1600536812012494/tk5074Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The central six-membered ring in both molecules has a chair conformation with equatorial substituents. In the crystal, molecules are linked into [100] C(4) chains of alternating A and B molecules by N—H⋯O hydrogen bonds.The title compound, C DOI: 10.1107/S160053681103515X/hb6389Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681103515X/hb6389Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The TbIII ion adopts a doubly-capped square-antiprismatic coordination environment defined by three chelating nitrate anions and two N,O-bidentate nitronyl nitroxide radical ligands. Weak C—H⋯O hydrogen bonds connect the molecules into a three-dimensional framework. The title structure is isotypic with the Ho analogue .The title compound, [Tb(NO [Li 2012. Acta Cr DOI: Click here for additional data file.10.1107/S1600536812040287/mw2078Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The bridging ligands link metal centres, forming a three-dimensional network which is stabilized by intermolecular O—H⋯N hydrogen-bonding interactions.In the title polymeric complex, [Cd(C DOI: 10.1107/S1600536810027406/rz2474Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536812011749/ff2059Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ferrocenylimine moieties are trans to each other.The title compound, [Fe DOI: 10.1107/S1600536812009191/pk2391Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The two benzene rings of the biphenyl unit form a dihedral angle of 55.99 (8)°. There are no significant hydrogen bonds observed in the crystal of this compound.In the title compound, C DOI: 10.1107/S1600536812018065/hb6748Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812018065/hb6748Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The octahedra are connected by malonate anions, forming chains along the c-axis direction. O—H⋯O hydrogen bonds link these chains into a three-dimensional network.In the title compound, [Mg(C DOI: 10.1107/S1600536813034193/kj2236Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The crystal structure is characterized by polymeric zigzag chains running parallel to [2-10] and is stabilized by O—H⋯O hydrogen bonds.In the title complex, {[Zn(C DOI: 10.1107/S1600536812025068/bt5933Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A NiP2N rhombus occurs within the chelating ligand.In the title complex, [NiCl DOI: 10.1107/S1600536811042760/hb6453Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure exhibits alternating organic and inorganic layers parallel to  and 3.9340 (15) Å].In the title compound, (C DOI: 10.1107/S1600536811007252/hy2408Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The cation is connected to the anion via three-center N—H⋯Cl hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811025347/gk2387Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811001759/ng5084Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the anion, three BiIII ions adopt an octahedral coordination constructed by six I− ligands. The three BiI6 octahedra are fused together through trans face-sharing.In the title complex, [Co(C DOI: 10.1107/S1600536811033460/om2460Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The morpholine ring adopts a chair conformation.In the title complex, [ZnBr DOI: 10.1107/S1600536811002753/su2250Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the fluorobenzene rings is 69.10 (15).In the title molecule, C DOI: 10.1107/S1600536812010744/hb6677Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812010744/hb6677Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Weak intermolecular C—H⋯O hydrogen bonding is present in the crystal structure.In the title compound, [Bi(C DOI: 10.1107/S1600536811021039/xu5208Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811021039/xu5208Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


These ligands bridge the NiII complex units, forming zigzag chains along the c axis. Adjacent chains are linked by O—H⋯O hydrogen bonds, forming a three-dimensional supramolecular network.In the title compound, [Ni(CHO DOI: 10.1107/S1600536811012281/bq2289Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810027236/lh5081Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Hydrogen bonding between hydroxy H and carboxylate O atoms results in a layer structure parallel to the ab plane.In the title compound, [Cu(C DOI: 10.1107/S1600536811023038/om2435Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the components are connected by O—H⋯N hydrogen bonds, forming a chain in the b-axis direction.The title co-crystal, C DOI: 10.1107/S1600536811029308/vm2111Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit comprises one Zr, one La and four S atoms. The Zr and three S atoms are situated on mirror planes. The structure consists of LaS8 face-sharing bicapped distorted trigonal prisms and ZrS7 edge-sharing monocapped octahedra.Zirconium(IV) dilanthanum(III) pentasulfide, ZrLa DOI: 10.1107/S1600536811045193/wm2549Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the molecules are linked by C—H⋯O and C—H⋯Br interactions.The non-H atoms of the title compound, C DOI: 10.1107/S1600536811030960/bt5592Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811030960/bt5592Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, complex molecules are linked via intermolecular O—H⋯O hydrogen bonds, forming chains along [100].In the title complex, [Sn(C DOI: 10.1107/S1600536811011184/lh5223Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


III atom in the anion of the title complex, (C9H14N)[Ni(C4N2S2)2], is coordinated by four S atoms of two maleonitriledithiolate ligands, and exhibits a square-planar coordination geometry.The Ni DOI: 10.1107/S1600536811042103/tk2798Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the molecules pack in layers parallel to (10The title compound, C DOI: 10.1107/S1600536810024311/fk2020Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the 2-[(propan-2-yloxy)carbonyl]quinolin-1-ium cation is linked to the Sn complex anion by an N—H⋯O hydrogen bond.In the title salt, (C DOI: 10.1107/S1600536812019496/xu5530Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The overall coordination sphere of the Hg+ atom is a considerably distorted octahedron. The crystal specimen under investigation was twinned by non-merohedry with a refined twin domain fraction of 0.853 (14):0.147 (14).The crystal structure of mercurous iodide, Hgurst 1926. J. Am.  DOI: 10.1107/S1600536811056339/wm2566Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, the molecules are connected by O—H⋯N hydrogen bonds into centrosymmetric dimers. The amino H atom is not involved in hydrogen bonding.The dihedral angle between the two phenyl rings in the title compound, C DOI: 10.1107/S1600536812002012/bt5789Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812002012/bt5789Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, the carboxylate groups act as bridging ligands, forming a two-dimensional polymer parallel to (001). The aqua ligand, which lies on a twofold rotation axis, forms intermolecular O—H⋯O hydrogen bonds within these layers. In the title compound, [K DOI: 10.1107/S1600536812008963/lh5422Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Conventional O—H⋯O hydrogen bonds link the complex molecules, forming layers parallel to the ab plane.In the monomeric title complex, [Cu(C DOI: 10.1107/S160053681100064X/bt5450Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each GdIII ion is nine-coordinated by one 1,10-phenanthroline molecule, one bidentate chelating carboxylate group and four bridging carboxylate groups in a distorted GdN2O7 monocapped square-antiprismatic geometry.In the centrosymmetric binuclear title complex, [Gd DOI: 10.1107/S1600536811036130/wm2524Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811042061/ng5233Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complete dianionic ligand is generated by crystallographic twofold symmetry. In the crystal, a two-dimensional supramolecular structure parallel to (001) is formed through O—H⋯O hydrogen-bond interactions between the coordinated water molecules and the O atoms of nearby carboxylate groups.In the title compound, [Ni(C DOI: 10.1107/S1600536811016400/hb5864Isup2.hkl            Structure factors: contains datablocks I. DOI: 10.1107/S1600536811016400/hb5864Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S160053681100849X/jh2269Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure is stabilized by intermolecular N—H⋯O hydrogen bonds, which link the molecules into chains running along the c axis.In the title compound, C DOI: 10.1107/S1600536811044904/bt5690Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811044904/bt5690Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each TbIII ion is nine-coordinated by one 1,10-phenanthroline molecule, one bidentate carboxylate group and four bridging carboxylate groups in a distorted TbN2O7 monocapped square-antiprismatic geometry.In the centrosymmetric binuclear title complex, [Tb DOI: 10.1107/S1600536811032041/hb6349Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, molecules are linked via O—H⋯O hydrogen bonds into a two-dimensional network parallel to (10In the title complex, [Ni(C DOI: 10.1107/S1600536811041134/lh5343Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536811033800/lh5314Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Within the two-dimensional complex polymer which is parallel to (100), coordinating water molecules form intermolecular O—H⋯O hydrogen bonds with carboxylate and phenoxy O-atom acceptors, as well as with the partial-occupancy solvent water molecules.In the title compound, {[Mg(C DOI: 10.1107/S1600536812035246/lh5512Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812035246/lh5512Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536812018831/aa2053Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, weak C—H⋯O hydrogen bonds between the methoxy groups connect adjacent molecules, giving chains which extend along [001].In the title compound, C DOI: 10.1107/S1600536812036288/zs2220Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812036288/zs2220Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The solvent molecules are linked by hydrogen bonds.The title dinuclear centrosymmetric complex, [Hg DOI: 10.1107/S160053681102040X/kp2329Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A supramolecular chain aligned along [101] mediated by charge-assisted O/N—H⋯Cl− hydrogen bonds features in the crystal packing. Chains are connected into a three-dimensional architecture by C—H⋯O(hydroxy) interactions.In the title salt, C DOI: 10.1107/S1600536814004565/hg5387Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536814004565/hg5387Isup3.cmlSupporting information file. DOI: 988939CCDC reference:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


The resulting cationic complex and the 3,5-dimethylbenzoate anion are interconnected by N—H⋯O hydrogen bonds.In the title compound, [Pd(C DOI: 10.1107/S1600536810028369/bt5293Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536812013049/mw2060Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal N—H⋯N hydrogen bonds link the molecules into chains. Weak C—H⋯N interactions are also present.In the title compound, C DOI: 10.1107/S1600536812037816/xu5598Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812037816/xu5598Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The metal atoms each show a distorted square-pyramidal coordination geometry. Intramolecular O—H⋯O hydrogen bonds occur. In the crystal, O—H⋯O hydrogen bonds join the components into a chain extending along the a axis.In the title compound, [Cu DOI: 10.1107/S1600536811041481/gk2407Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯O hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which consolidates the crystal packing.In the dinuclear title complex, [Fe DOI: 10.1107/S1600536810041966/cv2763Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecule contains two fused (trans) six-membered rings which both exibit a chair conformation. In the crystal, molecules are linked into chains along [100] by weak C—H⋯O hydrogen bonds involving the methyl and carbonyl groups.The title compound, C DOI: 10.1107/S1600536812029303/fj2573Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812029303/fj2573Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The zinc cation is coordinated by four N atoms of two terminal N-bonded thiocyanate anions and of two symmetry-related 3-methylpyridine co-ligands, defining a slightly distorted tetrahedral coordination polyhedron.The asymmetric unit of the title compound, [Zn(NCS) DOI: 10.1107/S1600536811024561/wm2500Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the constituent units are linked into a two-dimensional network parallel to the ab plane by N—H⋯O and O—H⋯O hydrogen bonds.In the title compound, C DOI: 10.1107/S1600536811035537/ci5198Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811035537/ci5198Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the complex molecules are linked by O—H⋯O hydrogen bonds between the water and sulfato ligands, forming a three-dimensional network.The title complex, [Mn al. 1995. Inorg.  al. 1996. Polyhed DOI: 10.1107/S160053681103604X/is2772Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The carboxylate group and the hydroxy group form O—H⋯O hydrogen bonds, generating a head-to-tail chain along the b axis. Neighbouring hydrogen-bonded chains are linked by the water molecule, generating two independent O—H⋯O donor hydrogen bonds. The carboxylate group thus constructs a hydrogen-bonded host layer parallel to (10In the title compound, C DOI: 10.1107/S1600536811024044/fj2433Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811024044/fj2433Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The nuclei are 3.122 (2) Å apart. The molecule exhibits a twofold rotation axis.The title compound, [Au DOI: 10.1107/S1600536811028856/bg2412Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atom is coordinated by three N atoms  and one O atom [Ni—O = 1.859 (2) Å], resulting in a pseudo-square-planar coordination environment.The title compound, [Ni(C DOI: 10.1107/S1600536812026827/im2378Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536811011974/gk2354Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The five-membered chelate ring adopts a twisted conformation. In the crystal, weak C—H⋯Cl hydrogen bonds link the molecules into (001) sheets.In the title complex, [PtCl DOI: Click here for additional data file.10.1107/S1600536812048295/hb7001Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the complex, the two coordinated benzotriazole rings rings are nearly perpendicular, the dihedral angle between their planes being 87.08 (6)°.In the crystal structure of the title coordination compound, [Ag(NO DOI: 10.1107/S1600536812006368/vn2026Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The TiIV atom is coordinated by two fully deprotonated O,N,O′-tridentate phenoxyamine ligands in a distorted octahedral environment. Within this arrangement the O atoms occupy the equatorial sites and the N atoms the axial sites. One of the toluene molecules is disordered over two sets of sites in a 0.628 (18):0.372 (18) ratio.The title compound, [Ti(C DOI: Click here for additional data file.10.1107/S1600536813007022/br2221Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813007022/br2221Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The methyl groups are disordered over two equally occupied positions. In the crystal, intermolecular N—H⋯O hydrogen bonds link the molecules into infinite chains running along the a axis.In the title compound, C DOI: 10.1107/S1600536811040967/bq2308Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040967/bq2308Isup3.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


One of the thienyl groups and the bound THF are disordered with 0.5:0.5 occupancy. The free THF is disordered around the threefold axis.In the mononuclear title compound, [Tb(C DOI: 10.1107/S160053681104623X/nc2251Isup2.cdx            Supplementary material file. DOI: 10.1107/S160053681104623X/nc2251Isup3.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination around the Rh atom shows a slightly distorted square-planar arrangement.In the title compound,  DOI: 10.1107/S1600536811038505/mw2021Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810047628/zq2074Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Molecules are packed in positions of least steric hindrance, with the phosphane ligands positioned above and below the Rh–acetylacetonate backbone.The title compound, [Rh(C DOI: 10.1107/S1600536811050483/mw2037Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, weak C—H⋯O interactions link the molecules into zigzag chains propagating in [100].In the title compound, C DOI: 10.1107/S160053681303033X/cv5435Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S160053681303033X/cv5435Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The VV atom is five-coordinated by N,O,O′-donor atoms of the Schiff base ligand, one methoxy O atom and one oxide O atom, forming a square-pyramidal geometry.The title oxidovanadium(V) complex, [V(C DOI: 10.1107/S1600536811050173/qm2035Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Adjacent Sn atoms are bridged by the two O atoms of the carboxylate ligand, forming a chain structure along the a-axis direction.In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S160053681104918X/kp2369Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bond lengths and bond angles are within normal ranges. The dihedral angle between the least-squares planes of the aromatic rings within each ligand is 82.76 (17)°.In the title Schiff base complex, [Zn(C DOI: Click here for additional data file.10.1107/S1600536812043930/ds2215Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536812011786/bt5848Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecules assume an approximate propellar shape, with the three aromatic rings being bent with respect to the plane formed by the C atoms that are connected to the methine C atom .The title compound, C DOI: 10.1107/S1600536812003698/bt5804Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812003698/bt5804Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Extensive hydrogen bonds establish a layered network structure extending parallel to (001).In the three-dimensional tetrachlorophthalate-bridged title complex [Er(C DOI: 10.1107/S1600536812016923/bt5856Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536810047501/nc2197Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each LaIII ion is nine-coordinated by one 1,10-phenanthroline molecule, one bidentate chelating carboxylate group and four bridging carboxylate groups in a distorted LaN2O7 monocapped square-antiprismatic geometry.In the centrosymmetric binuclear title complex, [La DOI: 10.1107/S1600536811036117/wm2525Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Correction to:British Journal of Cancer (2011) 104, 188–192; doi:10.1038/sj.bjc.6605911Upon publication in early 2011, the authors noticed a small error in the Methods section regarding the ATC codes for genotoxic and non-genotoxic TCA drugs, which may have caused some confusion for readers. The corrected text is presented below:The list of ATC codes for TCA drugs should read:TCAs (genotoxic) : desipramine (N06AA01), imipramine (N06AA02), imipramine oxide (N06AA03), clomipramine (N06AA04), opipramol (N06AA05), trimipramine (N06AA06), doxepine (N06AA12), amoxapine (N06AA17), lofepramine (N06AA07); TCAs (non-genotoxic) : amitriptyline (N06AA09), nortriptyline (N06AA10), protriptyline (N06AA11), dosulepine (N06AA16)’.‘


In the crystal structure, symmetry-related molecules are linked by N—H⋯O hydrogen bonds, generating a three-dimensional network.In the title complex, [Ni(C DOI: 10.1107/S1600536810041577/lh5153Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The resulting graph-set descriptor of this ring system is R22(10). The nitrate counter-anions connect the dicationic dimers via N—H⋯O hydrogen bonds, forming two-dimensional networks in the bc plane.In the crystal of the title salt, C DOI: 10.1107/S1600536813027694/lh5656Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536813027694/lh5656Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536811043972/ff2038Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the complex exhibits a zigzag chain structure running parallel to the c axis. An intrachain C—H⋯O hydrogen bond is observed.In the polymeric title coordination compound, [Sn(C DOI: 10.1107/S1600536811049245/rz2663Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymmetric unit comprises one Eu3+ cation, two aqua ligands and one and a half thiophene-2,5-dicarboxylate anions . The Eu3+ cation is eight-coordinated in a distorted dodecahedral geometry. The crystal structure features O—H⋯O hydrogen bonds.The three-dimensional coordination polymer, [Eu DOI: 10.1107/S1600536812029546/rk2364Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A weak intramolecular C—H⋯O interaction is noted. The crystal studied was a racemic twin.The structure of the title compound, [Pd(C DOI: 10.1107/S1600536812040068/tk5150Isup2.molSupplementary material file. DOI: 10.1107/S1600536812040068/tk5150Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal structure, C—H⋯Cl hydrogen-bonding interactions connect the molecules into a three-dimensional network.In the title compound, [CdCl DOI: 10.1107/S1600536810043163/pv2344Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The coordination geometry at the RhI ion is distorted square-planar. The toluene solvent molecule is disordered over two different orientations, with site-occupation factors of 0.810 (2) and 0.190 (2).The reaction of (η DOI: 10.1107/S1600536812002851/bt5795Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536810021859/hg2685Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The water molecules and the organic cations interact with the [ZnCl4]2− complex anions, building up a two-dimensional hydrogen-bonded network parallel to (100).In the title compound, (C DOI: 10.1107/S1600536811017478/dn2685Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The NiII atom is coordinated in a slightly distorted square-planar geometry by two O atoms and two N atoms from two 2-[imino(phenyl)methyl]-5-methoxyphenolate ligands. The dihedral angle between the symmetry-unique phenyl and benzene rings is 73.2 (1)°.The title complex, [Ni(C DOI: Click here for additional data file.10.1107/S1600536812043061/lh5543Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812043061/lh5543Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure exhibits parallel stacking of the diammonium dication in its packing arrangement, together with inorganic–organic layering that is typical of these n-alkyldiammonium salts. An intricate three-dimensional hydrogen-bonding network exists in the crystal structure where the hydrogen bonds link the cation and anion layers together through the sulfate anions and the water molecules.The crystal structure of the title compound, C DOI: 10.1107/S1600536811030030/zk2015Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811030030/zk2015Isup3.mol            Supplementary material file. DOI: 10.1107/S1600536811030030/zk2015Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal structure features polymeric chains running along the b axis which are stabilized by N—H⋯N hydrogen bonds.In the title coordination polymer, [Hg(NCS) DOI: 10.1107/S1600536812016790/bt5873Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the chain, the Cd2+ cation is coordinated by four bridging Cl− ligands in equatorial positions and two N atoms from symmetry-related and likewise bridging 1,3-bis(imidazol-1-yl)propane ligands in axial positions, forming a distorted CdCl4N2 octahedron.The title complex, [CdCl DOI: 10.1107/S1600536812021083/wm2624Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each L ligand also lies across an inversion center and bridges two CdII ions, forming infinite two-dimensional rectangular layers running parallel to (010).In the title coordination polymer, [CdCl DOI: 10.1107/S1600536811027036/gw2103Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Cd atom in the complex [Cd(Se4)2]2− anion is tetrahedrally coordinated by two chelating tetraselenide ligands, and both CdSe4 rings exhibit an envelope conformation.The title compound, (EtMe DOI: 10.1107/S1600536811007227/zl2349Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, O—H⋯O hydrogen bonds link the molecules into a layer structure parallel to (-101).In the title compound, [Zn(C DOI: Click here for additional data file.10.1107/S1600536812045357/vn2058Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The crystal structure is stabilized by intermolecular O—H⋯N hydrogen bonds involving the coordinated water molecules and the N atoms of the tetrazolide group.In the title complex, [Mn(C DOI: 10.1107/S1600536811047428/pv2481Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811047428/pv2481Isup4.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The TbIII atom displays a dodecahedral geometry, while the MoV ion exhibits a distorted square-antiprismatic geometry. The Tb atoms are located on a special position of site symmetry In the title compound, [Tb(C DOI: 10.1107/S1600536811020022/bt5505Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Two H2mbidc ligands bridge two ZnII atoms, generating a double-chain along [In the title compound, {[Zn(C DOI: 10.1107/S1600536811006532/hy2396Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The pyrazole rings have a 21.09 (5)° angle between their mean planes and exhibit a trans-like geometry in which the in-plane lone pairs of electrons on the 2-N nitrogen atoms point in opposite directions. The title compound, C DOI: 10.1107/S1600536812032801/zq2175Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812032801/zq2175Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Multiple figures in the article contain errors. Please see corrected versions of those figures here: Figure 1: Figure 2: Figure 3: Figure 4: Figure 5: Figure 6: Figure 7: Figure 8: Figure 9:


The 4,4′-bpy ligand has an inversion center at the mid-point of the central C—C bond. The PbII atoms are linked by bidentate bridging 4,4′-bpy into a chain along [101]. These chains are further connected into layers via C—H⋯O hydrogen bonds.In the title complex, [Pb(C DOI: 10.1107/S1600536811035021/hy2458Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536812035362/tk5138Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812035362/tk5138Isup3.cdxSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal structure, carboxylate bridges link the metal atoms, forming zigzag chains parallel to the b axis.In the title polymeric coordination compound, [Sn(CH DOI: 10.1107/S1600536810047835/rz2525Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecular structure is comprised of two hydrotris(1-pyrazolyl)borate ligands (Tp−) and a central FeII ion, which is coordinated by six pyrazole N atoms from two two Tp− ligands, yielding a distorted bipyramidal FeN6 geometry. The complete molecule exhibits symmetry 2/m.The title compound, [Fe(C al. 1980. Inorg.  DOI: 10.1107/S1600536811025839/hg5058Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Both Ni atoms are located on crystallographic centres of inversion.The title compound, [Ni(C DOI: 10.1107/S1600536811028510/im2294Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The bridging ligands generate a three-dimensional structure.In the title coordination polymer, [Zn(C DOI: 10.1107/S1600536810042406/ng5050Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each heptanedioato ligand bridges three Mg atoms, generating polymeric layers parallel to the bc plane. The polymeric layers related by translation along the a axis interact further via O—H⋯O hydrogen bonds, which consolidate the crystal packing.In the title compound, [Mg DOI: 10.1107/S1600536811015492/cv5076Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, O—H⋯Cl hydrogen bonds link the molecules into [100] chains.In the title compound, [NiCl DOI: 10.1107/S160053681103128X/hb6336Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810038298/hb5649Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


C—H⋯O—H interactions.The title compound, [Fe(C al. 2006. Acta Cr DOI: 10.1107/S1600536811047775/tk5015Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular C—H⋯O hydroxyl–carboxyl hydrogen bond occurs in the anion.In the structure of the title salt, C DOI: 10.1107/S1600536810024888/ez2219Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The molecular conformation is stabilized by intramolecular O—H⋯O hydrogen bonds.In the title compound, [Ni(HCOO) DOI: 10.1107/S1600536811050859/vm2139Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the pyridine and the cyclopropyl rings is 95.4 (8)°.In the title compound, [ZnBr DOI: 10.1107/S1600536810025201/hb5526Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, weak C—H⋯F hydrogen bonds link the complex cations and hexafluoridophosphate anions into a three-dimensional supramolecular structure.In the title compound, [CoRu(C DOI: 10.1107/S1600536813028195/hy2638Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The dihedral angle between the mean planes of the two coordinating ligands is 83.65 (5)°. The crystal packing is consolidated by weak C—H⋯N hydrogen-bonding interactions.In the title compound, [Zn(C DOI: 10.1107/S1600536812009592/wm2598Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, extensive O—H⋯O hydrogen-bonding interactions result in a three-dimensional supramolecular architecture.In the title compound, [Ce(C DOI: 10.1107/S1600536811052688/ez2275Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 1,1′-methylenebis(1H-imidazole) ligands adopt a bis-monodentate bridging mode linking two CoII atoms.The title compound, [Co DOI: 10.1107/S1600536811010610/jh2275Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Intermolecular O—H⋯O hydrogen bonds generate a three-dimensional hydrogen-bonding network, which consolidates the crystal packing.The asymmetric unit of the title compound, [Co(C DOI: 10.1107/S1600536810023810/cv2723Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the mean planes of the two coordinating ligands is 85.65 (5)°. Weak C—H⋯S hydrogen bonds are also observed.The title compound, [Zn(C DOI: 10.1107/S1600536812013529/wm2612Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The octahedral [Zn(H2O)6]2+ cations, solvent water molecules and anions interact via O—H⋯O hydrogen bonds, forming a three-dimensional network.The title compound, [Zn(H DOI: 10.1107/S1600536810027972/jh2181Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 4,4′-diazenediyldibenzoate anions do not coordinate to Ag. O—H⋯O hydrogen bonds stabilize the crystal structure.In the title compound, [Ag DOI: 10.1107/S1600536811008816/bt5474Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The purpose of this table is to provide the community with a citable record of publications of ongoing genome sequencing projects that have led to a publication in the scientific literature. While our goal is to make the list complete, there is no guarantee that we may have omitted one or more publications appearing in this time frame. Readers and authors who wish to have publications added to this subsequent versions of this list are invited to provide the bibliometric data for such references to the SIGS editorial office. CrenarchaeotaPhylum EuryarchaeotaPhylum Pyrococcus yayanosii CH1, sequence accession CP002779 Pantoea ananatis LMG20103, sequence accession CP001875 [Helicobacter bizzozeronii strain CIII-1, sequence accession FR871757 (chromosome) and FR871758 (HBZ-1) [ (HBZ-1) Vibrio anguillarum 775, sequence accession CP002284 to CP002285 [CP002285 Zymomonas mobilis subsp. pomaceae, sequence accession CP002865 (chromosome), CP002866 (p29192_1), CP002867 (p29192_2) [29192_2) Agrobacterium sp. strain ATCC 31749, sequence accession AECL01000000 [01000000 Xanthomonas spp. strain Xrc, sequence accesssion CP002789 [CP002789 Xanthomonas spp. strain Xoc, sequence accesssion AAQN00000000 [00000000 Glaciecola sp. Strain 4H-3-7+YE-5, sequence accession CP002526 (chromosome) and CP002527 (plasmid) [plasmid) Escherichia coli Strain HM605, sequence accession CADZ01000001 through CADZ01000154 [01000154 Salinisphaera shabanensis, sequence accession AFNV00000000 [00000000 Methyloversatilis universalis FAM5T, sequence accession AFHG00000000 [00000000 Alicycliphilus denitrificans Strain BC, sequence accession CP002449 (chromosome), CP002450 (megaplasmid), CP002451 (plasmid) [plasmid) .Alicycliphilus denitrificans K601T, sequence accession CP002657 (chromosome) and CP002658 (plasmid) [plasmid) Oligotropha carboxidovorans Strain OM4, sequence accession CP002821 (chromosome), CP002822 (pHCG3b), CP002823 (pOC167B) [pOC167B) Oligotropha carboxidovorans Strain OM5, sequence accession CP002826 (chromosome), CP002827 (pHCG3), and CP002828 (pOC167) Bradyrhizobiaceae strain SG-6C, sequence accession AFOF01000000 [01000000 Hyphomicrobium sp. Strain MC1, sequence accession FQ859181 [FQ859181 Shewanella sp. Strain HN-41, sequence accession AFOZ01000000 [01000000 Myxococcus fulvus HW-1, sequence accession CP002830 [CP002830 Nitrosomonas sp. Strain AL212, sequence accession NC_015222 (chromosome), NC_015223 pNAL21201), NC_015221 (pNAL21202) [AL21202) Ruegeria sp. Strain KLH11, sequence accession ACCW00000000 [00000000 Acidovorax avenae subsp. avenae RS-1, sequence accession AFPT01000000 [01000000 Escherichia coli (ExPEC), sequence accession AFAT00000000 [00000000 Vibrio mimicus SX-4, sequence accession ADOO01000000 [01000000 Agrobacterium tumefaciens Strain F2, sequence accession AFSD00000000 [00000000 Pasteurella multocida subsp. gallicida AFRR01000001 to AFRR01000489 [01000489 Pseudomonas aeruginosa 138244, sequence accession AEVV00000000 [00000000 Pseudomonas aeruginosa 152504, sequence accession AEVW00000000 [00000000 Campylobacter jejuni strain 305, sequence accession ADHL00000000 [00000000 Campylobacter jejuni strain DFVF1099, sequence accession ADHK00000000 [00000000 Xanthomonas campestris pv. raphani strain 756C, sequence accession CP002789 [CP002789 Xanthomonas campestris pv. raphani strain BLS256, sequence accession AAQN01000001 [01000001 Rickettsia heilongjiangensis, sequence accession CP002912 [CP002912 Acidiphilium sp. Strain PM (DSM 24941), sequence accession AFPR00000000 [00000000 Pseudomonas putida Strain S16, sequence accession CP002870 [CP002870 Acinetobacter lwoffii, sequence accession AFQY01000000 [01000000 FirmicutesPhylum Caldalkalibacillus thermarum strain TA2.A1, sequence accession AFCE00000000 [00000000 Listeria monocytogenes Scott A, sequence accession AFGI00000000 [00000000 Lactococcus garvieae 8831, sequence accession AFCD00000000 [00000000 Natranaerobius thermophilus JW/NM-WN-LF, sequence accession CP001034 (chromosome), CP001035 (plasmid) [plasmid) Melissococcus plutonius ATCC 35311, sequence accession AP012200 (chromosome) and AP012201 (plasmid) [plasmid) Lactobacillus buchneri NRRL B-30929, sequence accession CP002652 (chromosome), CP002653 (plasmid pLBU01), CP002654 (plasmid pLBU02), and CP002655 (plasmid pLBU03) [Lactobacillus kefiranofaciens ZW3 , sequence accession CP002764 (chromosome), CP002765 (plasmid), and CP002766 (plasmid) [plasmid) Bacillus megaterium strain QM B1551, sequence accession CP001983 (chromosome), CP001984 to CP001990 (plasmids pBM100 through pBM700) [Bacillus megaterium strain DSM319, sequence accession CP001982 (chromosome) [omosome) Listeria monocytogenes serovar 4a strain M7, sequence accession CP002816 [CP002816 Bacillus coagulans 2-6, sequence accession CP002472 [CP002472 Streptococcus salivarius strain CCHSS3, sequence accession FR873481 [FR873481 Paenibacillus elgii B69, sequence accession AFHW01000000 [01000000 Lactobacillus pentosus MP-10, sequence accession FR871759 through FR871848 [FR871848 Leuconostoc pseudomesenteroides KCTC 3652, sequence accession AEOQ00000001 through AEOQ00001160 [00001160 Lactobacillus mali KCTC 3596, sequence accession BACP01000001 through BACP01000122 [01000122 Paenibacillus polymyxa Type Strain ATCC 842T, sequence accession AFOX01000000 [01000000 Streptococcus salivarius strain JIM8777, sequence accssion FR873482 [FR873482 Lactobacillus cypricasei KCTC 13900, sequence accession BACS01000001 to BACS01000487 [01000487 Lactobacillus zeae KCTC 3804, sequence accession BACQ01000001 to BACQ101000113 [01000113 Listeria monocytogenes Serovar 4a Strain M7, sequence accession CP002816 [CP002816 Lactobacillus salivarius GJ-24, sequence accession AFOI00000000 [00000000 Lactobacillus johnsonii PF01, sequence accession AFQJ01000000 [01000000 Clostridium acetobutylicum DSM 1731, sequence accession CP002660 through CP002662 [CP002662 Lactobacillus suebicus KCTC 3549, sequence accession BACO01000000 [01000000 Brevibacillus laterosporus LMG 15441, sequence accession AFRV00000000 [00000000 Lactobacillus salivarius NIAS840, sequence accession AFMN00000000 [00000000 Bifidobacterium animalis subsp. lactis CNCM I-2494, sequence accession CP002915 [CP002915 Megasphaera elsdenii, sequence accession HE576794 [HE576794 Lactobacillus versmoldensis KCTC 3814, sequence accession BACR01000001 to BACR01000102 [01000102 Lactobacillus pentosus IG1, sequence accession FR874848 to FR874860 [FR874860 Alicyclobacillus acidocaldarius Strain Tc-4-1, sequence accession CP002902 [CP002902 Streptococcus thermophilus Strain JIM8232, sequence accession FR875178 [FR875178 Streptococcus equi subsp. zooepidemicus Strain ATCC 35246, sequence accession CP002904 [CP002904 Bacillus amyloliquefaciens XH7, sequence accession CP002927 [CP002927 Leuconostoc kimchii Strain C2, sequence accession CP002898 [CP002898 Lactobacillus malefermentans KCTC 3548, sequence accession BACN01000001 to BACN01000172 [01000172 Weissella koreensis KACC 15510, sequence accession CP002900 [CP002900 TenericutesPhylum Mycoplasma bovis Strain Hubei-1, sequence accession CP002513 [CP002513 Mycoplasma fermentans Strain M64, sequence accession NC_014921 [C_014921 Haloplasma contractile, sequence accession AFNU00000000 [00000000 Mycoplasma ovipneumoniae Strain SC01, sequence accession AFHO01000000 [01000000 ActinobacteriaPhylum Kocuria rhizophila P7-4, sequence accession AFID00000000 [00000000 Streptomyces S4, sequence accession CADY01000000 [01000000 Corynebacterium nuruki S6-4T, sequence accession AFIZ00000000 [00000000 Propionibacterium humerusii, sequence accession AFAM00000000.1 [000000.1 Strain JDM601, sequence accession CP002329 Streptomyces sp. strain Tü6071, sequence accession AFHJ01000000 [01000000 Bifidobacterium breve UCC2003, sequence accession CP000303 [CP000303 Propionibacterium acnes, sequence accession CP002815 [CP002815 Amycolicicoccus subflavus DQS3-9A1T, sequence accession CP002786 (chromosome), CP002787 (plasmid pAS9A-1), and CP002788 (plasmid pAS9A-2). [AS9A-2). Gordonia neofelifaecis NRRL B-59395, sequence accession AEUD01000000 [01000000 Pseudonocardia dioxanivorans strain CB1190, sequence accession NC_015312-4 and CP002595-7 [002595-7 Bifidobacterium longum subsp. longum KACC 91563, sequence accession  CP002794 to CP002796 [CP002796 Streptomyces cattleya NRRL 8057, sequence accession FQ859185 (chromosome) and FQ859184 (megaplasmid) [plasmid) Rhodococcus sp. Strain R04, sequence accession AFAQ01000000 [01000000 Mycobacterium bovis BCG Moreau, sequence accession [ccession Saccharopolyspora spinosa NRRL 18395, sequence accession [ccession Mycobacterium tuberculosis CCDC5079, sequence accession [ccession Mycobacterium tuberculosis CCDC5180, sequence accession [ccession Amycolatopsis mediterranei S699, sequence accession CP002896 [CP002896 Nesterenkonia sp. Strain F, sequence accession AFRW01000000 [01000000 Streptomyces xinghaiensis NRRL B24674T, sequence accession AFRP01000000 [01000000 ChlamydiaePhylum Chlamydophila abortus variant strain LLG, sequence accession AFHM01000000 [01000000 Chlamydia psittaci 6BC, sequence accession CP002586 (chromosome), CP002587 (plasmid) [plasmid) Chlamydia psittaci Cal10, sequence accession AEZD00000000 (draft chromosome and plasmid) [plasmid) Chlamydia trachomatis, sequence accession CP002024 [CP002024 SpirochaetesPhylum Spirochaeta thermophila DSM 6192, sequence accession CP001698 [CP001698 Brachyspira intermedia, sequence accession CP002874 (chromosome) and CP002875 (plasmid) [plasmid) FibrobacteresPhylum BacteroidetesPhylum Porphyromonas gingivalis TDC60, sequence accession AP012203 [AP012203 Krokinobacter sp. strain 4H-3-7-5, sequence accession CP002528 [CP002528 Lacinutrix sp. strain 5H-3-7-4, sequence accession CP002825 [CP002825 Bacterium HQM9, sequence accession AFPB00000000 [00000000 Anaerophaga sp. Strain HS1, sequence accession AFSL00000000 [00000000 Capnocytophaga canimorsus Strain 5, sequence accession CP002113 [CP002113 Mesoflavibacter zeaxanthinifaciens strain S86, sequence accession AFOE00000000 [00000000 VerrucomicrobiaPhylum LentisphaeraePhylum ThermotogaePhylum Kosmotoga olearia Strain TBF 19.5.1, sequence accession CP001634 [CP001634 ArchaeaDomain Nitrosoarchaeum koreensis" MY1, sequence accession AFPU00000000 ["Candidatus 00000000 Cucumis sativus L., sequence accession FI132140–FI136208, GS765762–GS766880, GS815969–GS874855 [North-European Cucumber GS874855 Ricinus communis organelle genome, sequence accession JF937588(chloroplast), HQ874649 (mitochondria) [Castor bean hondria) Umatilla, sequence accession HQ842619 through HQ842628 [Stretch Lagoon Orbivirus HQ842628 Gadus morhua, sequence accession CAEA01000001 through CAEA01554869 [Atlantic cod 01554869 Solanum tuberosum L., sequence accession  GS025503 through GS026177 [Potato GS026177 ΦCA82, sequence accession HQ264138 Paramecium caudatumreveals mitochondria, sequence accession NC001324 [NC001324 bacteriophage IME08, sequence accession NC_014260 virus (ILTV), sequence accession HQ_630064 Macropus eugenii, sequence accession ABQO000000000 [Australian kangaroo 00000000 Aichi virus, sequence accession FJ890523 "Candidatus Tremblaya princeps" Strain PCVAL, sequence accession CP002918


The [SnCl6]2− anion undergoes a slight distortion from octahedral symmetry as the result of the formation of four unforked charge-supported N—H⋯Cl hydrogen bonds. The hydrogen bonds between the cations and anions form layers perpendicular to [101]. These layers are built by 24-membered rings which can be classified with an R88(24) graph-set descriptor. According to this hydrogen-bonding motif, the title compound is isostructural with (C6H16N)2[IrCl6].The title compound, (C DOI: Click here for additional data file.10.1107/S1600536812043371/mw2089Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S1600536812043371/mw2089Isup3.molSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Two trans-N:S-bridging thiocyanates complete the N5S donor set around the Cd atom. In the crystal, adjacent CdII ions are linked by the thiocyanate N:S-bridges into polymeric chains along the c axis.In the title compound, [Cd(NCS) DOI: 10.1107/S1600536811010063/om2412Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The complex displays a nano-sized porous metal–organic framework that belongs to a  topological network.The solvothermal reaction of Co(NO DOI: 10.1107/S1600536811017661/tk2740Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


DOI: 10.1107/S1600536810027595/bt5296Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


N—H⋯Br hydrogen bonds link the organic cations and bioctahedral face-sharing anions into a three-dimensional network.In the title compound, (C DOI: Click here for additional data file.10.1107/S1600536813014335/vn2071Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536813014335/vn2071Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The complex molecules are stabilized by intramolecular O—H⋯Cl hydrogen bonds.In the title compound, [NdCl DOI: 10.1107/S1600536812014055/zs2190Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The solvent water molecules are lodged in the channels.In the crystal structure of the title monohydrate salt, [ZnCl(C DOI: 10.1107/S1600536810052682/bg2383Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The dihedral angle between the two bromo-substituted benzene rings is 10.1 (3)°.In the title complex, [Ni(C DOI: 10.1107/S1600536812004321/lh5411Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


One of the bridging Hg—Cl bonds is significantly longer than the other.In the centrosymmetric dinuclear title complex, [Hg DOI: 10.1107/S1600536811004703/gk2347Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The purpose of this table is to provide the community with a citable record of publications of ongoing genome sequencing projects that have led to a publication in the scientific literature. While our goal is to make the list complete, there is no guarantee that we may have omitted one or more publications appearing in this time frame. Readers and authors who wish to have publications added to subsequent versions of this list are invited to provide the bibliographic data for such references to the SIGS editorial office. Thermogladius cellulolyticus” 1633, sequence accession CP003531 [“Methanomassiliicoccus luminyensis, sequence accession CAJE01000001 through CAJE01000026 [Pyrococcus sp. Strain ST04, sequence accession CP003534 [Leptospirillum ferrooxidans Strain C2-3, sequence accession AP012342 [Prochlorococcus marinus MED4, sequence accession BX548174 [Acinetobacter sp. Strain HA, sequence accession AJXD00000000 [00000000 Acinetobacter venetianus RAG-1T, sequence accession AKIQ00000000 [00000000 Agrobacterium tumefaciens CCNWGS0286, sequence accession AGSM00000000 [Alcaligenes faecalis subsp. faecalis NCIB 8687, sequence accession AKMR01000001 through AKMR01000186 [01000186 Alishewanella agri BL06T, sequence accession AKKU00000000 [00000000 Alishewanella aestuarii Strain B11T, sequence accession ALAB00000000 [Bacillus methanolicus MGA3, sequence accession ADWW00000000 [00000000 Bacillus methanolicus PB1, sequence accession AFEU00000000 [00000000 CandidatusSulfurovum sediminum”, sequence accession AJLE00000000 [“00000000 Bartonella birtlesii strain IBS 135T, sequence accession AKIP00000000 [00000000 Brucella abortus A13334, sequence accession CP003176.1 (Chromosome I),CP003177.1 (Chromosome II) [some II) Brucella canis Strain HSK A52141, sequence accession CP003174.1 (chromosome I), and CP003175.1 (chromosome II) [some II) Brucella melitensis S66, sequence accession AHWB00000000 [00000000 Brucella melitensis16M, sequence accession AHWC00000000 [00000000 Brucella melitensis 16M1w, sequence accession AHWD00000000 [00000000 Brucella melitensis 16M13w, sequence accession AHWE00000000 [00000000 Burkholderia sp. Strain KJ006, sequence accession CP003514 (chromosome I), CP003515 (chromosome II), CP003516 (chromosome III), and CP003517 (plasmid pKJ006) [ pKJ006) .Burkholderia terrae Strain BS001, sequence accession AKAU00000000 [00000000 Burkholderia thailandensis MSMB43, sequence accession AJXB00000000 [00000000 Catenovulum agarivorans YM01T, sequence accession AJWM00000000 [00000000 Citrobacter sp. Strain A1, sequence accession AKTT00000000 [00000000 Cronobacter sakazakii ES15, sequence accession CP003312 [CP003312 Dickeya zeae Strain ZJU1202, sequence accession AJVN00000000 [00000000 Enterobacter cloacae GS1, sequence accession AJXP00000000 [00000000 Enterococcus faecium Clinical Isolate LCT-EF128, sequence accession AJUP00000000 [00000000 Enterobacter radicincitans DSM16656T, sequence accession AKYD00000000 [00000000 Escherichia coli J53, sequnce accession AICK00000000 [00000000 Escherichia coli LCT-EC106, sequence accession [ccession Escherichia coli NCCP15647, sequence accession AJMB00000000 [00000000 Escherichia coli W26, sequence accession AGIA00000000 [00000000 Gluconobacter oxydans WSH-003, sequence accession AHKI00000000 [00000000 Halomonas stevensii S18214T, sequence accession AJTS00000000 [00000000 Helicobacter cinaedi Strain PAGU611, sequence accession AP012344 (chromosome) and AP012345 (plasmid) [plasmid) Helicobacter pylori hpEurope Strain N6, sequence accession CAHX01000001 to CAHX01000054 [01000054 Herbaspirillum lusitanum P6-12, sequence accession AJHH00000000 [00000000 Herbaspirillum sp. Strain GW103, sequence accession AJVC00000000 [00000000 Hydrocarboniphaga effusa strain AP103T, sequence accession AKGD00000000 [00000000 Hydrogenophaga sp. Strain PBC, sequence accession AJWL00000000 [00000000 Klebsiella oxytoca E718, sequence accession CP003683 [CP003683 Methylobacterium extorquens sp. strain 4-46, sequence accessions NC_010511, NC_010373, NC_010374 [C_010374 Methylobacterium extorquens strain BJ001, sequence accessions NC_010725, NC_010727, NC_010721 [C_010721 Methylobacterium extorquens strain CM4, sequence accessions NC_011757, NC_011758, NC_011760 [C_011760 Methylobacterium extorquens strain JCM 2831, sequence accessions NC_010510, NC_010509, NC_010514, NC_010517, NC_010518, NC_010502, NC_010504, NC_010507 [C_010507 Methylobacterium extorquens strain ORS 2060, sequence accessions NC_011894,NC_011892, NC_011887, NC_011893, NC_011895, NC_011888, NC_011889, NC_011890 [C_011890 Methylobacterium extorquens strain PA1, sequence accessions NC_010172 [C_010172 Methylobacterium sp. Strain GXF4, sequence accession AKFK00000000 [00000000 Methylophaga sp. Strain JAM1, sequence accession CP003390 [CP003390 Methylophaga sp. Strain JAM7 sequence accession CP003380 (chromosome), CP003381 (plasmid) [plasmid) Modestobacter marinus Strain BC501, sequence accession FO203431 [FO203431 Mycobacterium massiliense M18, sequence accession AJSC00000000 [00000000 Neisseria meningitidis Capsule Null Locus Strain, sequence accession CAJS01000001 through CAJS01000042 [01000042 Novosphingobium sp. Strain Rr 2-17, sequence accession AKFJ00000000 [00000000 Providencia stuartii Clinical Isolate MRSN 2154, sequence accession CP003488 [CP003488 Pseudaminobacter salicylatoxidans KCT001, sequence accession CAIU00000000 [00000000 Pseudomonas aeruginosa Strain SJTD-1, sequence accession AKCM00000000 [00000000 Pseudomonas aeruginosa Strain XMG, sequence accession AJXX00000000 [00000000 Pseudomonas fuscovaginae CB98818, sequence accession ALAQ00000000 [00000000 Pseudoalteromonas issachenkonii PAMC 22718, sequence accession AJTK00000000 [00000000 Pseudomonas sp. Strain HYS, sequence accession AJJP00000000 [00000000 Pseudomonas pseudoalcaligenes KF707, sequence accession AJMR00000000 [00000000 Pseudomonas putida Strain ND6, sequence accession CP003588 [CP003588 Pseudomonas putida Strain SJTE-1, sequence accession AKCL00000000 [00000000 Pseudomonas sp. Strain M47T1, sequence accession AJWX00000000 [00000000 Pseudomonas stutzeri TS44, sequence accession AJXE00000000 [00000000 Ralstonia sp. strain PBA, sequence accession AJWL00000000 [00000000 Rhodanobacter strain DSM 23569, sequence accession AGIL00000000 [00000000 Rhodanobacter strain 115, sequence accession AJXS00000000 [00000000 Rhodanobacter DSM 17631, sequence accession AJXT00000000 [00000000 Rhodanobacter DSM 18449, sequence accession AJXU00000000 [00000000 Rhodanobacter DSM 18863, sequence accession AJXW00000000 [00000000 Rhodanobacter DSM 24678, sequence accession AJXV00000000 [00000000 Rickettsia conorii subsp. caspia, sequence accession AJUR00000000 [00000000 Rickettsia australis strain PhillipsT, sequence accession AKVZ00000000 [00000000 Rickettsia sp. Strain MEAM1, sequence accession AJWD00000000 [00000000 Rickettsia conorii subsp. israelensis, sequence accession AJVP00000000 [00000000 Serratia plymuthica Strain PRI-2C, sequence accession AJTB00000000 [00000000 Serratia marcescens strain LCT-SM213, seqeunce accession AJUV00000000 [00000000 Sinorhizobium fredii USDA257, sequence accession CP003563 through CP003582 [CP003582 Sphingobium indicum B90A, sequence accession AJXQ00000000 [00000000 Stenotrophomonas maltophilia PML168, sequence accession CAJH01000001 through CAJH01000097 [01000097 Salmonella enterica serotype Newport CVM35185, sequence accession AHTJ00000000 [00000000 Salmonella enterica serotype Newport CVM33953, sequence accession AHTM00000000 [00000000 Salmonella enterica serotype Newport CVM21550, sequence accession AHTT00000000 [00000000 Salmonella enterica serotype Newport CVM21538, sequence accession AHTV00000000 [00000000 Salmonella enterica serotype Newport CVM37978, sequence accession AHUC00000000 [00000000 Salmonella enterica serotype Newport CVM19593, sequence accession AHUD00000000 [00000000 Salmonella enterica serotype Newport CVM19443, sequence accession AHUB00000000 [00000000 Salmonella enterica serotype Newport CVM19470, sequence accession AHUE00000000 [00000000 Salmonella enterica serovar Typhi UJ308A, sequence accession AJTD00000000 [00000000 Salmonella enterica Serovar Typhi UJ816A, sequence accession AJTE00000000 [00000000 Serratia sp. Strain M24T3, sequence accession [ccession Sulfuricella denitrificans skB26, sequence accession BAFJ01000001 through BAFJ01000023 [01000023 Xanthomonas campestris JX, sequence accession AJVO00000000 [00000000 Yersinia pestis Strain 2501, sequence accession AKVQ00000000 [00000000 Aeromonas aquariorum, sequence accession BAFL01000001 through BAFL01000036, and AP012343 [AP012343 Aerococcus viridans LL1, sequence accession AJTG00000000 [00000000 Bacillus anthracis H9401, sequence accession CP002091.1 ( chromosome), CP002092.1.1 (plasmid pXO1), and CP002093.1 (plasmid pXO2) [id pXO2) Bacillus atrophaeus C89, sequence accession AJRJ00000000 [00000000 Bacillus cereus NC7401, sequence accession AP007209 (chromosome), AP007210 (plasmid pNCcld), AP007211 , AP007212 , AP007213 , and AP007214  [4, 3 kb) Bacillus siamensis KCTC 13613T, sequence accession AJVF00000000 [00000000 Bacillus sp. Strain 5B6, sequence accession AJST00000000 [00000000 Bacillus sp. Strain 916, sequence accession AFSU00000000 [00000000 Citreicella aestuarii Strain 357, sequence accession AJKJ00000000 [00000000 Clostridium beijerinckii Strain G117, sequence acceession AKWA00000000 [00000000 Corynebacterium pseudotuberculosis Strain 1/06-A, sequence accession CP003082 [CP003082 Enterobacter sp. Isolate Ag1, sequence accession AKXM00000000 [00000000 Enterococcus faecalis D32, sequence accession CP003726 through CP003728 [CP003728 Enterococcus faecalis strain NP-10011, sequence accession AB712291 [Enterococcus hirae  ATCC 9790, sequence accession CP003504 (chromosome), NC_015845 (plasmid pTG9790) [pTG9790) Geobacillus thermoglucosidans” TNO-09.020, sequence accession AJJN00000000 [“00000000 Lactococcus garvieae IPLA 31405, sequence accession AKFO00000000 [00000000 Lactobacillus mucosae LM1, sequence accession AHIT00000000 [00000000 Lactobacillus rossiae DSM 15814, sequence accession AKZK00000000 [00000000 Paenibacillus polymyxa OSY-DF, sequence accession AIPP00000000 [00000000 Pediococcus pentosaceus strain IE-3, sequence accession CAHU01000001 through CAHU01000091 [01000091 Pelosinus fermentans A11, sequence accession AKVM00000000 [00000000 Pelosinus fermentans B4, sequence accession AKVJ00000000 [00000000 Pelosinus fermentans JBW45, sequence accession AKVO00000000 [00000000 Pelosinus fermentans R7, sequence accession AKVN00000000 [00000000 Planococcus antarcticus DSM 14505, sequence accession AJYB00000000 [00000000 Pseudomonas stutzeri Strain JM300, sequence accession CP003725 [CP003725 Rhodococcus sp. strain DK17, sequence accession AJLQ00000000 [00000000 Staphylococcus aureus Strain LCT-SA112, sequence accession AJLP00000000 [00000000 Staphylococcus capitis QN1, sequence accession AJTG00000000 [00000000 Staphylococcus equorum subsp. equorum Mu2, sequence accession CAJL01000001 to CAJL01000030 [01000030 Staphylococcus hominis ZBW5, sequence accession AKGC00000000 [00000000 Staphylococcus saprophyticus subsp. saprophyticus M1-1, sequence accession AHKB00000000 [00000000 Streptococcus mutans GS-5, sequence accession CP003686 [CP003686 Streptococcus pyogenes M1 476, sequence accession AP012491 [AP012491 Streptococcus salivarius PS4, sequence accession AJFW00000000 [00000000 Streptococcus thermophilus Strain MN-ZLW-002, sequence accession CP003499 [CP003499 Ureibacillus thermosphaericus Strain Thermo-BF, sequence accession AJIK00000000 [00000000 Mycoplasma leachii Strain PG50T, sequence accession CP002108.1 [002108.1 Mycoplasma mycoides subsp. mycoides, sequence accession CP002107.1 [002107.1 Mycoplasma wenyonii Strain Massachusetts, sequence accession CP003703 [CP003703 Actinomyces massiliensis Strain 4401292T, sequence accession AKIO00000000 [00000000 Bifidobacterium animalis subsp. lactis B420, sequence accesion CP003497 [CP003497 Bifidobacterium animalis subsp. lactisBi-07, sequence accesion CP003498 [CP003498 Bifidobacterium bifidum strain BGN4, sequence accession CP001361 [CP001361 Brevibacterium massiliense Strain 541308T, sequence accession CAJD00000000 [00000000 Corynebacterium bovis DSM 20582, sequence accession AENJ00000000 [00000000 Corynebacterium diphtheriae Biovar Intermedius NCTC 5011, sequence accession AJVH00000000 [00000000 Corynebacterium pseudotuberculosis strain 1/06-A, sequence accession CP003082 [CP003082 Corynebacterium pseudotuberculosis strain 3/99-5 sequence accession CP003152.1 [003152.1 Corynebacterium pseudotuberculosis strain 42/02-A, sequence accession CP003062 [CP003062 Microbacterium yannicii, sequence accession CAJF01000001 through CAJF01000067 [01000067 Micromonospora lupini Lupac 08, sequence accession CAIE01000001 [01000001 Mycobacterium bolletii Strain M24, sequence accession AJLY00000000 [00000000 Mycobacterium intracellulare Clinical Strain MOTT-36Y, sequence accession CP003491 [CP003491 Mycobacterium massiliense M18, sequence accession AJSC00000000 [00000000 Mycobacterium massiliense strain GO 06, sequence accession CP003699 [CP003699 Mycobacterium massiliense strain M154, sequence accession AJMA00000000 [00000000 Mycobacterium tuberculosis RGTB327, sequence accession CP003233 [CP003233 Mycobacterium tuberculosis MTB423, sequence accession CP003234 [CP003234 Parascardovia denticolens IPLA 20019, sequence accession AKII00000000 [00000000 Saccharothrix espanaensis DSM 44229T, sequence accession HE804045 [HE804045 Streptomyces auratus Strain AGR0001, sequence accession AJGV00000000 [00000000 Streptomyces cattleya” DSM46488T, sequence accession FQ859185 and FQ859184 [“FQ859184 Streptomyces globisporus C-1027, sequence accession AJUO00000000 [00000000 Streptococcus mutans GS-5, sequence accession CP003686 [CP003686 Streptomyces sp. Strain AA1529, sequence accession ALAP00000000 [00000000 Streptomyces sulphureus L180, sequence accession AJTQ0000000 [Q0000000 Borrelia crocidurae, sequence accession CP003426 (chromosome), CP003427 to CP003465 (plasmids) [lasmids) Treponema sp. Strain JC4, sequence accession JQ783348 [JQ783348 Flavobacterium sp. Strain F52, sequence accession AKZQ00000000 [00000000 Fusobacterium nucleatum subsp. fusiforme ATCC 51190T, sequence accession AKXI00000000 [00000000 Imtechella halotolerans”“ K1T, sequence accession AJJU00000000 [00000000 Actinophage PIS136, sequence accession JX006077 Aeromonas hydrophila Phage CC2, sequence accession JX123262 [JX123262 Bacteriophage BC-611, sequence accession AB712291 Bacteriophage SSU5, sequence accession JQ965645 Blattabacterium sp. strain BGIGA, sequence accession [ccession Caulobacter crescentus Bacteriophage φCbK, sequence accession JX163858 [JX163858 Celeribacter Bacteriophage P12053L, sequence accession JQ809650 [JQ809650 Croceibacter Bacteriophage P2559S, sequence accession JQ867099 [JQ867099 Cronobacter sakazakii Temperate Bacteriophage phiES15 JQ780327 [JQ780327 Marinomonas Bacteriophage P12026, sequence accession JQ867100 [JQ867100 Pectobacterium carotovorum subsp. carotovorum Bacteriophage PP1, sequence accession JQ837901 [JQ837901 Persicivirga bacteriophages P12024L, sequence accession JQ823123 [JQ823123 Persicivirga bacteriophages P12024S, sequence accession JQ823122 [JQ823122 phage clP1, sequence accession JN051154 Pseudomonas aeruginosa Siphophage MP1412, sequence accession JX131330 [JX131330 Pseudomonas aeruginosa Temperate Phage MP29, sequence accession EU272036 [EU272036 Pseudomonas aeruginosa Temperate Phage MP42, sequence accession JQ762257 [JQ762257 Pseudomonas Phage Φ-S1, sequence accession JX173487 [JX173487 Siphophage MP1412, sequence accession JX131330 Staphylococcus aureus Bacteriophage GH15, sequence accession JQ686190 [JQ686190 Vibrio vulnificus Bacteriophage SSP002, sequence accession JQ692107 [JQ692107 African bovine rotaviruses RVA/Cow-wt/ZAF/1603/2007/G6P, sequence accession S9(VP7) JN831209, S4(VP4) JN831210, S6(VP6) JN831211, S1(VP1) JN831212, S2(VP2) JN831213, S3(VP3) JN831214, S5(NSP1) JN831204, S8(NSP2) JN831205, S7(NSP3) JN831206, S10(NSP4) JN831207, S11(NSP5) JN831208 African bovine rotaviruses RVA/Cow-wt/ZAF/1604/2007/G8P, sequence accession S9(VP7) JN831220, S4(VP4) JN831221, S6(VP6) JN831222, S1(VP1) JN831223, S2(VP2) JN831224, S3(VP3) JN831225, S5(NSP1) JN831215, S8(NSP2) JN831216, S7(NSP3) JN831217, S10(NSP4) JN831218, S11(NSP5) JN831219 African bovine rotaviruses RVA/Cow-wt/ZAF/1605/2007/G6P, sequence accession S9(VP7) JN831231, S4(VP4) JN831232, S6(VP6) JN831233, S1(VP1) JN831234, S2(VP2) JN831235, S3(VP3) JN831236, S5(NSP1) JN831226, S8(NSP2) JN831227, S7(NSP3) JN831228, S10(NSP4) JN831229, S11(NSP5) JN831230 Avian Leukosis Virus, sequence accession JX254901 Avian Influenza Virus H3N2, sequence accession JX175250 through JX175257 Avian Influenza Virus H5N2, sequence accession JQ990145 through JQ990152 Avian-Like H4N8 Swine Influenza, sequence accession JX151007 through JX151014 Avian Paramyxovirus, sequence accession JQ886184 Avian Tembusu-Related Virus Strain WR, sequence accession JX196334 Bluetongue Virus Serotype 9, sequence accession JX003687 to JX003696 Bluetongue Virus Serotype 16, sequence accession Bombyx mori Nucleopolyhedrovirus, sequence accession JQ991009 Bovine Viral Diarrhea Virus 2, sequence accession JF714967 Bovine Foamy Viruses, sequence accession JX307861 Canine Noroviruses, sequence accession FJ692500 and FJ692501 Chicken Anemia Virus, sequence accession JX260426 Chikungunya Virus, sequence accession JX088705 Chinese Virulent Avian Coronavirus GX-YL5, sequence accession HQ848267 Chinese Virulent Avian Coronavirus GX-YL9, sequence accession HQ850618 Coxsackievirus B4, sequence accession JX308222 Enterovirus C (HEV-C117), sequence accession JX262382 Genotype 4 Hepatitis E Virus Strain, sequence accession JQ993308 H10N8 Avian Influenza Virus, sequence accession JQ924786 to JQ924793 H9N2 Subtype Influenza Virus FJG9, sequence accession JF715008.1, JN869514.1 through JN869520.1 .Herpes Simplex Virus 1 Strain McKrae, sequence accession JX142173 Human Coronavirus NL63, sequence accession JX104161 Human G10P Rotavirus, sequence accession AB714258 through AB714268 Ikoma Lyssavirus, sequence accession JX193798 Korean sacbrood viruses AmSBV-Kor19, sequence accession JQ390592 Korean sacbrood viruses AmSBV-Kor21, sequence accession JQ390591 , sequence accession JN835456 [Mitochondrion of Frankliniella occidentalisJN835456 New Circular DNA Virus from Grapevine, sequence accession JQ901105 Novel Porcine Epidemic Diarrhea Virus, sequence accession JX112709 Pararetrovirus, sequence accession JQ926983 Parechovirus, sequence accession JX050181 Peste des Petits Ruminants Virus, sequence accession JX217850 Polyomavirus, sequence accession JQ412134 Porcine Circovirus 2b Strain CC1, sequence accession JQ955679 Porcine circovirus type 2 (PCV2), sequence accession JX294717 Porcine Epidemic Diarrhea Virus Strain AJ1102, sequence accession JX188454 Porcine Sapelovirus Strain YC2011, sequence accession JX286666 [Respiratory Syndrome Virus Strain QY2010, sequence accession JQ743666 SAT 2 Foot-and-Mouth Disease Virus, sequence accession JX014255 SAT 2 Foot-and-Mouth Disease Virus PAT, sequence accession JX014256 Street Rabies Virus, sequence accession HQ450386 Waterfowl aviadenovirus goose adenovirus 4, sequence accession JF510462 , sequence accession NC_015104 [cpDNA of Smilax chinaC_015104 , sequence accession JQ310743 [Elodea canadensisJQ310743 Ogura-type mitochondrial genome, sequence accession AB694743 Aspergillus oryzae Strain 3.042, sequence accession AKHY00000000 [00000000 Rhodosporidium toruloides MTCC 457, sequence accession AJMJ00000000 [00000000 Helicoverpa armigera, sequence accession HQ613271 [HQ613271 plasmidIncN plasmid pRSB201, sequence accession JN102341 plasmidIncN plasmid pRSB203, sequence accession JN102342 plasmidIncN plasmid pRSB205, sequence accession JN102343 plasmidIncN plasmid pRSB206, sequence accession JN102344


The asymmetric unit comprises one half-molecule, the structural dimeric unit being generated by inversion symmetry with an Mg⋯Mg distance of 3.469 (2) Å. The Mg(II) atom exhibits a distorted tetrahedral coordination geometry. The crystal packing is defined by van der Waals interactions only.The title benzyl Grignard reagent, [Mg DOI: 10.1107/S1600536812025445/kp2423Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The gold(I) atoms are 3.4873 (7) Å apart. The molecule exhibits a crystallographic twofold rotation axis.The title compound, [Au DOI: 10.1107/S1600536810050506/br2152Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The diphosphadiborane molecule consists of an ideal planar four-membered B2P2 ring with an additional phenyl and a –PPh2 group attached to each B atom.In the title compound, C DOI: 10.1107/S1600536812011361/yk2048Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: Click here for additional data file.10.1107/S1600536812045461/sj5274Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The absolute configuration at the stereogenic S-atom center was determined as S. The crystal structure is stabilized by intermolecular C—H⋯O contacts.In the title compound, C DOI: 10.1107/S1600536811041420/bt5660Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811041420/bt5660Isup3.cdx            Supplementary material file. DOI: 10.1107/S1600536811041420/bt5660Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, pairs of bifurcated O—H⋯ hydrogen bonds link adjacent molecules, forming centrosymmetric dimers. The acetonitrile solvent molecule shows 0.5 occupancy.In the title complex, [Co(C DOI: 10.1107/S160053681105330X/xu5401Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An iodide ligand completes the coordination sphere, with the seven-coordinate BiIII atom adopting a highly distorted monocapped octahedral geometry.The title compound, [Bi(C DOI: 10.1107/S1600536813033515/sj5375Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supporting information:


DOI: 10.1107/S1600536811013274/bt5511Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The CuII atom is four-coordinated by the phenolate O atoms and imine N atoms from two Schiff base ligands, in a highly distorted square-planar geometry. The O- and N-donor atoms are mutually trans and the dihedral angle between the two benzene rings is 55.8 (3)°.The title compound, [Cu(C DOI: 10.1107/S1600536810025481/sj5030Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The asymetric unit consists of an [Fe(phen)3]2+ cation, two [Cr(phen)(NCS)4]− anions, three acetonitrile solvent molecules and a water molecule. The Fe and Cr atoms both show a slightly distorted octahedral FeN6 and CrN6 coordination geometry with adjacent angles in the range 79.67 (12)–95.21 (12)°. No classical hydrogen bonding involving the water molecule is observed.Single crystals of the title heterometallic compound, [Fe(C DOI: 10.1107/S1600536812012949/ru2031Isup2.cdxSupplementary material file. DOI: 10.1107/S1600536812012949/ru2031Isup3.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Extensive O—H⋯O hydrogen-bonding interactions between the cations, anions and water molecules stabilize the three-dimensional network.In the title compound, [Mn(H DOI: 10.1107/S1600536810022300/hy2318Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The Br aroms are trans-disposed as a result of symmetry.The title complex, [RuBr DOI: Click here for additional data file.10.1107/S1600536813000871/hy2613Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The ligands are coordinated in a chelate fashion, forming three five-membered rings. In the crystal, translationally related complex molecules are organized into columns along [001] via C—H⋯O hydrogen bonds.In the title compound, [Co(C DOI: 10.1107/S1600536811043303/hy2479Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal packing is characterized by a C—H⋯O hydrogen-bonded ribbon structure approximately parallel to [10In the title compound, [Zn(C DOI: 10.1107/S1600536811019854/ng5159Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, the 3-methylanilinium cations link with the complex antimonate anions and Cl− anions via N—H⋯Cl hydrogen bonds.In the title compound, (C DOI: 10.1107/S1600536811049087/xu5391Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The crystal studied was a non-merohedral twin with the minor domain being in a 15.8 (1)% proportion.The Sn(IV) atom in the title compound, [Sn(C DOI: 10.1107/S1600536810048300/hg2755Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each purinate ligand chelates two ZnII cations through two imidazole N atoms of the purinate anion ligand, leading to the formation of a three-dimensional network.In the title compound, [Zn(C DOI: 10.1107/S1600536812011245/vn2034Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The molecule contains two fused six-membered rings, which both display a chair conformation. In the crystal, molecules are linked into chains propagating along the b axis by intermolecular O—H⋯O hydrogen bonds.The title compound, C DOI: 10.1107/S1600536811004454/fj2393Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


Each 5-aminoisophthalate anion acts as a μ3-bridge linking symmetry-related ZnII ions into a layered polymeric structure parallel to (100). The asymmetric unit also comprises a disordered crystal water molecule located on an inversion centre with 0.25 occupancy. In the crystal, N—H⋯O hydrogen bonds form a three-dimensional network.In the title coordination polymer, {[Zn(C DOI: 10.1107/S1600536811050045/kp2352Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811050045/kp2352Isup3.cdx            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


In the crystal, N—H⋯O hydrogen bonds link the molecules into chains running along the b-axis direction.In the molecule of the title compound, C DOI: 10.1107/S160053681302401X/ff2117Isup2.hklStructure factors: contains datablock(s) I. DOI: Click here for additional data file.10.1107/S160053681302401X/ff2117Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each pair of double-stacked dications is surrounded by a ring of ten nitrate anions. An intricate three-dimensional N---H...O and N---H... hydrogen-bonding network exists in the crystal structure.The crystal structure of the title compound, C DOI: 10.1107/S1600536811042929/lr2031Isup2.hkl            Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811042929/lr2031Isup3.mol            Supplementary material file. DOI: 10.1107/S1600536811042929/lr2031Isup4.cml            Supplementary material file. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


A three-dimensional supramolecular network is built from the uncoordinated nitrate anion, the water molecule and the cation through O—H⋯O hydrogen bonds.In the title compound, [Ag(C DOI: 10.1107/S1600536810020945/ng2780Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The presence of a PF6               − anion  promotes the existence of an extensive network of weak C—H⋯X  interactions.The title compound, [RuBr(C DOI: 10.1107/S1600536811002662/cv5041Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


This compound is isostructural with KCuFe(PO4)2 [Badri et al.  iron(III) bis(phosphate), RbCuFe(PO al. 2011, J. Soli DOI: 10.1107/S1600536813019569/br2226Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


In the crystal, O(water)—H⋯O and C—H⋯O hydrogen bonds form a three-dimensional-network.In the title compound, [Cu(C DOI: Click here for additional data file.10.1107/S1600536812044625/qm2087Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


The O atom of the nitrate anion occupies the apical site. The crystal structure features intramolecular N—H⋯O hydrogen bonds.Copper nitrate in methanol solution cleaves the N—C DOI: 10.1107/S160053681201241X/xu5488Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Each arsine-substituted Os atom bears one equatorial and two axial terminal carbonyl ligands, whereas the unsubstituted Os atom bears two equatorial and two axial terminal carbonyl ligands. The dihedral angles between the two benzene rings in the diphenylarsino groups are 67.42 (16) and 61.99 (16)°. In the crystal, molecules are linked via C—H⋯O hydrogen bonds into zigzag chains propagating along [010].The title compound, [Os DOI: 10.1107/S1600536812024208/hb6822Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


Classical O—H⋯O hydrogen bonds link both methanol solvent molecules with the nitrate anion.In the title compound, [Co(C DOI: 10.1107/S1600536810032241/si2285Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The metal complex lies on a fourfold rotation axis that passes through the Os, N, O and Cl atoms. The NO and Cl ligands are disordered in an 0.511 (12):0.486 (12) ratio.The title compound, [OsCl(NO)(C DOI: 10.1107/S1600536811001401/ng5100Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


The 4,4-bipyridine and Cl− anions bridge the AgI cations, forming polymeric chains running along [21-1]. In the crystal, weak C—H⋯Cl interactions link the polymeric chains into a three-dimensiona supramolecular architecture.In the title coordination polymer, [Ag DOI: Click here for additional data file.10.1107/S160053681301413X/xu5704Isup2.hklStructure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


We confirm the previous studies, but to modern standards of precision and with all H atoms located. The central Ni atom (site symmetry A preliminary X-ray study of the title molecular salt, [Ni(CH DOI: 10.1107/S1600536810026668/hb5527Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


There are no close C—H⋯Cl contacts.The two molecules in the asymmetric unit of the title compound, C DOI: 10.1107/S1600536812014924/bt5833Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812014924/bt5833Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


A weak intramolecular C—H⋯S interaction generates an S(6) ring. No intermolecular hydrogen bonds are observed in the crystal structure.The molecule of the title compound, C DOI: 10.1107/S1600536812035003/hb6910Isup2.hklStructure factors: contains datablock(s) I. DOI: 10.1107/S1600536812035003/hb6910Isup3.cmlSupplementary material file. DOI:  crystallographic information; 3D view; checkCIF reportAdditional supplementary materials:


DOI: 10.1107/S1600536811040402/bg2419Isup2.hkl            Structure factors: contains datablock(s) I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials:


An intramolecular Bi⋯N nonbonding interaction is observed in the distorted trigonal triarylbismuth coordination of the title compound. The title compound, [Bi(C DOI: 10.1107/S1600536810043655/si2298Isup2.hkl            Structure factors: contains datablocks I. DOI:  crystallographic information; 3D view; checkCIF report            Additional supplementary materials: