Information card for entry 2016831

Structure parameters

• Chemical name: <i>catena</i>-Poly[μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-tetraaquacobalt(II)] hydrogen 3-phosphonatobenzenesulfonate]
• Formula: C16 H21 Co N2 O10 P S
• Calculated formula: C16 H21 Co N2 O10 P S
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])([n]1ccc(c2ccncc2)cc1)[n]1ccc(cc1)c1cc[n](cc1)[Co]([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])c1cccc(P(=O)(O)[O-])c1.S(=O)(=O)([O-])c1cccc(P(=O)(O)[O-])c1
• Title of publication: Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]
• Authors of publication: Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m353 - m357
• a: 14.9569 ± 0.0008 Å
• b: 22.5625 ± 0.0011 Å
• c: 12.1697 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4106.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes