Information card for entry 2214626

Structure parameters

• Chemical name: Diaqua(5-carboxy-2-methyl-1<i>H</i>-imidazole-4-carboxylato-\ κ^2^N^3^,O^4^)cobalt(II)
• Formula: C12 H14 Co N4 O10
• Calculated formula: C12 H14 Co N4 O10
• SMILES: Cc1[n]2c(C(=O)O[Co]32([OH2])([n]2c(C)[nH]c(c2C(=O)O3)C(=O)O)[OH2])c(C(=O)O)[nH]1
• 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)
• Authors of publication: Chong-Bo Liu; Xu-Liang Nie; Hui-Liang Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2244 - m2244
• a: 6.8261 ± 0.0008 Å
• b: 13.9705 ± 0.0016 Å
• c: 16.7173 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1594.2 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes