Information card for entry 2217203

Structure parameters

• Chemical name: Diaquabis(4-methylbenzoato-κ^2^O,O')cadmium(II)
• Formula: C16 H18 Cd O6
• Calculated formula: C16 H18 Cd O6
• SMILES: [Cd]12(OC(=[O]1)c1ccc(cc1)C)(OC(=[O]2)c1ccc(cc1)C)([OH2])[OH2]
• Title of publication: Diaquabis(4-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)
• Authors of publication: Huang, Xiang-Hu; Hong, Peng-Zhi; Song, Wen-Dong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m175 - m175
• a: 26.5836 ± 0.0008 Å
• b: 5.3542 ± 0.0001 Å
• c: 12.0625 ± 0.0003 Å
• α: 90°
• β: 107.414 ± 0.003°
• γ: 90°
• Cell volume: 1638.21 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes