Information card for entry 2011612

Structure parameters

• Chemical name: Tetraaquabis(3,5-dicarboxybenzoate-O)cobalt(II)
• Formula: C18 H18 Co O16
• Calculated formula: C18 H18 Co O16
• SMILES: [OH2][Co](OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)(OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O)([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(3,5-dicarboxybenzoato-<i>O</i>)cobalt(II)
• Authors of publication: Guillou, Nathalie; Livage, Carine; Marrot, Jerôme; Férey, Gerard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1427 - 1428
• a: 5.116 ± 0.0001 Å
• b: 13.008 ± 0.0002 Å
• c: 15.189 ± 0.0001 Å
• α: 90°
• β: 96.853 ± 0.001°
• γ: 90°
• Cell volume: 1003.59 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes