Information card for entry 2216692

Structure parameters

• Chemical name: Diaqua(4-oxidopyridinium-3-sulfonato-κ^2^<i>O</i>,<i>O</i>')cobaltate(II) hexahydrate
• Formula: C10 H24 Co N2 O16 S2
• Calculated formula: C10 H24 Co N2 O16 S2
• SMILES: c12c(cc[nH]c2)=[O][Co]2(OS1(=O)=O)([OH2])(OS(=O)(=O)c1c[nH]ccc1=[O]2)[OH2].O.O.O.O.O.O
• Title of publication: Diaquabis(4-oxidopyridinium-3-sulfonato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) hexahydrate
• Authors of publication: Zhi-Biao Zhu; Shan Gao; Li-Hua Huo; Hui Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3126 - m3127
• a: 7.7825 ± 0.0016 Å
• b: 8.4697 ± 0.0017 Å
• c: 8.7952 ± 0.0018 Å
• α: 90.97 ± 0.03°
• β: 110.17 ± 0.03°
• γ: 106.65 ± 0.03°
• Cell volume: 517 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes