Information card for entry 2216211

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaquacobalt(II)]-μ-(<i>E</i>)-1,2-bis(4- pyridyl)ethylene-κ^2^<i>N</i>:<i>N</i>'] bis(4-aminobenzenesulfonate) hexahydrate]
• Formula: C24 H38 Co N4 O14 S2
• Calculated formula: C24 H38 Co N4 O14 S2
• SMILES: [Co]([OH2])([OH2])([OH2])([OH2])[n]1ccc(cc1)/C=C/c2cc[n](cc2)[Co]([OH2])([OH2])([OH2])([OH2])[n]3ccc(/C=C/c4ccncc4)cc3.S(=O)(=O)([O-])c1ccc(N)cc1.S(=O)(=O)([O-])c1ccc(N)cc1.S(=O)(=O)([O-])c1ccc(N)cc1.S(=O)(=O)([O-])c1ccc(N)cc1.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquacobalt(II)]-μ-(<i>E</i>)-1,2-bis(4-pyridyl)ethylene-κ^2^<i>N</i>:<i>N</i>'] bis(4-aminobenzenesulfonate) hexahydrate]
• Authors of publication: Zhong-Xiang Du; Jun-Xia Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3080 - m3081
• a: 13.4351 ± 0.0015 Å
• b: 7.9688 ± 0.0009 Å
• c: 15.7183 ± 0.0018 Å
• α: 90°
• β: 104.133 ± 0.001°
• γ: 90°
• Cell volume: 1631.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes