Information card for entry 2205211

Structure parameters

• Chemical name: catena-Poly[[[diaquahexapyridine-μ~2~-sulfato-dicobalt(II)]-μ-sulfato] tetrahydrate]
• Formula: C30 H42 Co2 N6 O14 S2
• Calculated formula: C30 H42 Co2 N6 O14 S2
• SMILES: [Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(OS(=O)(=O)O[Co]([OH2])([OH2])([n]1ccccc1)([n]1ccccc1)OS(=O)(=O)[O-])OS(=O)(=O)O[Co]([OH2])([OH2])([n]1ccccc1)([n]1ccccc1)OS(=O)(=O)O[Co]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaquahexapyridine-μ-sulfato-dicobalt(II)]-μ-sulfato] tetrahydrate]
• Authors of publication: Ali, Hapipah M.; Puvaneswary, Subramaniam; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m474 - m475
• a: 12.486 ± 0.002 Å
• b: 9.443 ± 0.001 Å
• c: 16.839 ± 0.002 Å
• α: 90°
• β: 108.289 ± 0.002°
• γ: 90°
• Cell volume: 1885.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes