Information card for entry 2232180

Structure parameters

• Chemical name: Hexaaquacobalt(II) bis(2,2'-sulfanediyldiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobaltate(II) tetrahydrate
• Formula: C8 H28 Co2 O18 S2
• Calculated formula: C8 H28 Co2 O18 S2
• SMILES: [Co]1234([S](CC(=O)O1)CC(=O)O2)[S](CC(=O)O3)CC(=O)O4.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Hexaaquacobalt(II) bis(2,2'-sulfanediyldiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cobaltate(II) tetrahydrate
• Authors of publication: Wang, Huang; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1521
• a: 18.8627 ± 0.0009 Å
• b: 13.5779 ± 0.0007 Å
• c: 8.9535 ± 0.0004 Å
• α: 90°
• β: 101.403 ± 0.001°
• γ: 90°
• Cell volume: 2247.87 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes