Information card for entry 2225286

Structure parameters

• Chemical name: Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-\ κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C22 H36 N6 Ni O12
• Calculated formula: C22 H36 N6 Ni O12
• Title of publication: Diaquabis(5-carboxy-2-propyl-1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)nickel(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Li, Shi-Jie; Yan, Jian-Bin; Song, Wen-Dong; Wang, Hao; Miao, Dong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m280
• a: 16.3574 ± 0.0012 Å
• b: 9.5246 ± 0.0007 Å
• c: 18.77 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2924.3 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes