Information card for entry 2232774

Structure parameters

• Chemical name: Tetraaquabis{3-carboxy-5-[(4-carboxyphenyl)diazenyl]benzoato- κ<i>O</i>^1^}cobalt(II) dihydrate
• Formula: C30 H30 Co N4 O18
• Calculated formula: C30 H30 Co N4 O18
• SMILES: c1(N=Nc2cc(cc(C(=O)O[Co]([OH2])(OC(=O)c3cc(cc(c3)N=Nc3ccc(cc3)C(=O)O)C(=O)O)([OH2])([OH2])[OH2])c2)C(=O)O)ccc(cc1)C(=O)O.O.O
• Title of publication: Tetraaquabis{3-carboxy-5-[(4-carboxyphenyl)diazenyl]benzoato-κ<i>O</i>^1^}cobalt(II) dihydrate
• Authors of publication: Bai, Liang; Zhao, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1689
• a: 19.347 ± 0.01 Å
• b: 7.105 ± 0.003 Å
• c: 12.379 ± 0.006 Å
• α: 90°
• β: 103.02 ± 0.009°
• γ: 90°
• Cell volume: 1657.9 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0418
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes