Information card for entry 2223942

Structure parameters

• Chemical name: Tetraaquabis(1<i>H</i>-benzimidazole-5,6-dicarboxylato- κ<i>N</i>^3^)cobalt(II) dimethylformamide disolvate dihydrate
• Formula: C24 H36 Co N6 O16
• Calculated formula: C24 H36 Co N6 O16
• SMILES: c1(c(cc2c(c1)[nH]c[n]2[Co]([OH2])([OH2])([n]1c2cc(c(cc2[nH]c1)C(=O)O)C(=O)[O-])([OH2])[OH2])C(=O)[O-])C(=O)O.N(C=O)(C)C.O.N(C=O)(C)C.O
• Title of publication: Tetraaquabis(1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ<i>N</i>^3^)cobalt(II) dimethylformamide disolvate dihydrate
• Authors of publication: Wang, Hao; Song, Wen-Dong; Li, Shi-Jie; Miao, Dong-Liang; Liu, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1423
• a: 8.5612 ± 0.0017 Å
• b: 9.1475 ± 0.0018 Å
• c: 11.642 ± 0.002 Å
• α: 100.82 ± 0.03°
• β: 102.98 ± 0.03°
• γ: 114.11 ± 0.03°
• Cell volume: 769.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes