Information card for entry 2205942

Structure parameters

• Chemical name: Diaquabis(4-hydroxybenzoato-κO)(1,10-phenanthroline-κ^2^N,N')cobalt(II) monohydrate
• Formula: C26 H24 Co N2 O9
• Calculated formula: C26 H24 Co N2 O9
• SMILES: [Co]1([n]2cccc3ccc4ccc[n]1c4c23)([OH2])([OH2])(OC(=O)c1ccc(O)cc1)OC(=O)c1ccc(O)cc1.O
• Title of publication: Diaquabis(4-hydroxybenzoato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N,N</i>')cobalt(II) monohydrate
• Authors of publication: Jian-Rong Su; Jian-Ming Gu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1033 - m1035
• a: 11.8707 ± 0.0004 Å
• b: 21.2746 ± 0.0006 Å
• c: 11.2385 ± 0.0004 Å
• α: 90°
• β: 117.639 ± 0.008°
• γ: 90°
• Cell volume: 2514.3 ± 0.2 ų
• Cell temperature: 295 ± 3 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 5
• 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: 0.037
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes