Information card for entry 2202412

Structure parameters

• Formula: C14 H30 Co O22 S2
• Calculated formula: C14 H30 Co O22 S2
• SMILES: c1(cc(c(cc1)O)C(=O)O)S(=O)(=O)[O-].[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.c1(cc(c(cc1)O)C(=O)O)S(=O)(=O)[O-].O.O
• Title of publication: Hexaaquacobalt(II) 3-carboxy-4-hydroxybenzenesulfonate tetrahydrate
• Authors of publication: Jian-Fang Ma; Jin Yang; Jing-Fu Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m481 - m482
• a: 6.5281 ± 0.0011 Å
• b: 7.2358 ± 0.0018 Å
• c: 14.627 ± 0.004 Å
• α: 92.73 ± 0.02°
• β: 96.274 ± 0.018°
• γ: 102.803 ± 0.016°
• Cell volume: 667.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes