Information card for entry 2224678

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^)manganese(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C22 H36 Mn N6 O12
• Calculated formula: C22 H36 Mn N6 O12
• SMILES: O=CN(C)C.[Mn]12([n]3c(c(C(=O)O)[nH]c3CCC)C(=O)O1)([n]1c(c(C(=O)O)[nH]c1CCC)C(=O)O2)([OH2])[OH2].N(C=O)(C)C
• 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^)manganese(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Yan, Jian-Bin; Li, Shi-Jie; Song, Wen-Dong; Wang, Hao; Miao, Dong-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m99
• a: 7.3992 ± 0.0008 Å
• b: 9.4429 ± 0.0011 Å
• c: 11.1978 ± 0.0013 Å
• α: 76.591 ± 0.001°
• β: 87.927 ± 0.001°
• γ: 68.863 ± 0.001°
• Cell volume: 708.89 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes