Information card for entry 2204013

Structure parameters

• Chemical name: Diaquabis(1H-imidazole-κN^3^)bis(4-nitrobenzoato-κO)cobalt(II)
• Formula: C20 H20 Co N6 O10
• Calculated formula: C20 H20 Co N6 O10
• SMILES: [Co](OC(=O)c1ccc(cc1)N(=O)=O)(OC(=O)c1ccc(cc1)N(=O)=O)([OH2])([OH2])([n]1c[nH]cc1)[n]1c[nH]cc1
• Title of publication: Diaquabis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(4-nitrobenzoato-κ<i>O</i>)cobalt(II)
• Authors of publication: Tu-Gen Xu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1131 - m1133
• a: 5.6482 ± 0.001 Å
• b: 8.0559 ± 0.0012 Å
• c: 12.7628 ± 0.0011 Å
• α: 75.619 ± 0.002°
• β: 87.92 ± 0.002°
• γ: 86.918 ± 0.001°
• Cell volume: 561.56 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes