Information card for entry 2213485

Structure parameters

• Chemical name: Hexaaquacobalt(II) bis(5-benzoyl-2-methoxy-4-oxidobenzenesulfonato- κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)cobaltate(II) tetrahydrate
• Formula: C38 H50 Co2 N2 O22 S2
• Calculated formula: C38 H50 Co2 N2 O22 S2
• SMILES: c12cc(c(cc1C(c1ccccc1)=[O][Co]1([n]3ccccc3)(O2)([n]2ccccc2)Oc2cc(c(cc2C(c2ccccc2)=[O]1)S(=O)(=O)[O-])OC)S(=O)(=O)[O-])OC.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Hexaaquacobalt(II) bis(5-benzoyl-2-methoxy-4-oxidobenzenesulfonato-κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)cobaltate(II) tetrahydrate
• Authors of publication: Yan-Cheng Liu; Tao Yuan; Zhen-Feng Chen; Hong Liang; Yong Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1397 - m1398
• a: 20.373 ± 0.003 Å
• b: 7.1181 ± 0.0009 Å
• c: 17.497 ± 0.003 Å
• α: 90°
• β: 111.514 ± 0.004°
• γ: 90°
• Cell volume: 2360.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes