Information card for entry 2205950

Structure parameters

• Chemical name: Diaqua(5-nitro-1H-benzimidazole-κN^3^)(oxydiacetato-κO,O',O'')cobalt(II) monohydrate
• Formula: C11 H15 Co N3 O10
• Calculated formula: C11 H15 Co N3 O10
• SMILES: [Co]12([n]3c[nH]c4ccc(N(=O)=O)cc34)(OC(=O)C[O]1CC(=O)O2)([OH2])[OH2].O
• Title of publication: Diaqua(5-nitro-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(oxydiacetato-κ<i>O</i>,<i>O</i>',<i>O</i>'')cobalt(II) monohydrate
• Authors of publication: Bing-Yu Zhang; Jia-Geng Liu; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1128 - m1130
• a: 11.5641 ± 0.0005 Å
• b: 10.2592 ± 0.0005 Å
• c: 12.7556 ± 0.0006 Å
• α: 90°
• β: 90.3721 ± 0.0012°
• γ: 90°
• Cell volume: 1513.27 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes