Information card for entry 2227696

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) 3.5-hydrate
• Formula: C16 H29 Mn N4 O13.5
• Calculated formula: C16 H29 Mn N4 O13.5
• 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) 3.5-hydrate
• Authors of publication: Li, Shi-Jie; Miao, Dong-Liang; Song, Wen-Dong; Li, Shi-Hong; Yan, Jian-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1096 - m1097
• a: 10.609 ± 0.006 Å
• b: 10.649 ± 0.006 Å
• c: 11.424 ± 0.007 Å
• α: 82.748 ± 0.008°
• β: 82.544 ± 0.007°
• γ: 86.857 ± 0.007°
• Cell volume: 1268.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1096
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes