Information card for entry 2204387

Structure parameters

• Chemical name: Diaquabis(1H-imidazole-4,5-dicarboxylato-κN^3^)cobalt(II) N,N-dimethylformamide disolvate
• Formula: C16 H24 Co N6 O12
• Calculated formula: C16 H24 Co N6 O12
• SMILES: CN(C)C=O.[Co]12([n]3c(C(=O)O1)c(C(=O)O)[nH]c3)([n]1c(C(=O)O2)c(C(=O)O)[nH]c1)([OH2])[OH2].CN(C)C=O
• Title of publication: Diaquabis(1<i>H</i>-imidazole-4,5-dicarboxylato-κ<i>N</i>^3^)cobalt(II) <i>N,N</i>-dimethylformamide disolvate
• Authors of publication: Hong-Ping Xiao; Xin-Hua Li; Qian Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1519 - m1521
• a: 6.9316 ± 0.0009 Å
• b: 9.1453 ± 0.0011 Å
• c: 9.3055 ± 0.0011 Å
• α: 87.093 ± 0.002°
• β: 77.229 ± 0.002°
• γ: 87.885 ± 0.002°
• Cell volume: 574.36 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes