Information card for entry 2224232

Structure parameters

• Chemical name: Hexaaquacobalt(II) bis(4-amino-3-methylbenzenesulfonate)
• Formula: C14 H28 Co N2 O12 S2
• Calculated formula: C14 H28 Co N2 O12 S2
• SMILES: c1(cc(c(cc1)N)C)S(=O)(=O)[O-].[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].c1(cc(c(cc1)N)C)S(=O)(=O)[O-]
• Title of publication: Hexaaquacobalt(II) bis(4-amino-3-methylbenzenesulfonate)
• Authors of publication: Zhang, Wei; Chen, Yuan-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1548
• a: 6.309 ± 0.001 Å
• b: 7.0513 ± 0.0011 Å
• c: 24.262 ± 0.004 Å
• α: 90°
• β: 94.08 ± 0.002°
• γ: 90°
• Cell volume: 1076.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes