Information card for entry 2011040

Structure parameters

• Chemical name: Hexaaquacobalt(II) 4-Toluenesulfonate
• Formula: C14 H26 Co O12 S2
• Calculated formula: C14 H26 Co O12 S2
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)C.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])c1ccc(cc1)C
• Title of publication: Hexaaquacobalt(II) bis(4-toluenesulfonate)
• Authors of publication: Cabaleiro-Martínez, Santiago; Castro, Jesús; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e249 - e250
• a: 6.9867 ± 0.0001 Å
• b: 6.3049 ± 0.0001 Å
• c: 25.233 ± 0.0001 Å
• α: 90°
• β: 91.7544 ± 0.0008°
• γ: 90°
• Cell volume: 1111 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.041
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes