Information card for entry 2227721

Structure parameters

• Chemical name: Diaquabis(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C22 H36 Co N6 O12
• Calculated formula: C22 H36 Co N6 O12
• SMILES: C1(c2c(C(=O)[O-])[nH]c(CCC)[n]2[Co]2([O]=1)([OH2])([n]1c(C(=[O]2)O)c(C(=O)[O-])[nH]c1CCC)[OH2])O.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Diaquabis(4-carboxy-2-propyl-1<i>H</i>-imidazole-5-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Li, Shi-Jie; Ji, Li-Li; Song, Wen-Dong; Hu, Shi-Wei; Qin, Pei-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1443 - m1444
• a: 7.3325 ± 0.0007 Å
• b: 9.33 ± 0.001 Å
• c: 11.2255 ± 0.0012 Å
• α: 76.93 ± 0.001°
• β: 87.564 ± 0.002°
• γ: 68.857 ± 0.001°
• Cell volume: 697.06 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes