Information card for entry 2221809

Structure parameters

• Chemical name: Diaquabis(5-carboxy-2-methyl-1<i>H</i>-imidazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) dimethylformamide disolvate
• Formula: C18 H28 Co N6 O12
• Calculated formula: C18 H28 Co N6 O12
• SMILES: C(=O)N(C)C.[Co]12([n]3c(C)[nH]c(C(=O)O)c3C(=O)O1)([n]1c(C)[nH]c(C(=O)O)c1C(=O)O2)([OH2])[OH2].CN(C)C=O
• Title of publication: Diaquabis(5-carboxy-2-methyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)cobalt(II) dimethylformamide disolvate
• Authors of publication: Tang, Si-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m504
• a: 7.1979 ± 0.0011 Å
• b: 9.218 ± 0.0015 Å
• c: 10.8659 ± 0.0017 Å
• α: 65.173 ± 0.002°
• β: 83.459 ± 0.002°
• γ: 68.254 ± 0.002°
• Cell volume: 607.02 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes