Information card for entry 2202339

Structure parameters

• Chemical name: Hexaaquacadmium(II) di-{(S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1- methanesulfonate}
• Formula: C20 H42 Cd O14 S2
• Calculated formula: C20 H42 Cd O14 S2
• SMILES: [Cd]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2]).S(=O)(=O)([O-])C[C@]12CC[C@H](CC1=O)C2(C)C.S(=O)(=O)([O-])C[C@]12CC[C@H](CC1=O)C2(C)C
• Title of publication: Hexaaquacadmium(II) di-(<i>S</i>)-camphor-10-sulfonate
• Authors of publication: Zhou, Jin-Sen; Cai, Ji-Wen; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o1185 - o1186
• a: 11.775 ± 0.002 Å
• b: 7.1711 ± 0.0009 Å
• c: 17.488 ± 0.002 Å
• α: 90°
• β: 93.914 ± 0.002°
• γ: 90°
• Cell volume: 1473.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes