Information card for entry 8105564

Structure parameters

• Formula: C40 H40 Mn N10 O12
• Calculated formula: C40 H40 Mn N10 O12
• Title of publication: Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N′)manganese(II)]bis(2-carboxybenzoate) dihydrate, MnC40H40N10O12
• Authors of publication: Li, Wen; Zhu, Xia; Zhu, Xue-heng; Li, Shi-jing-min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 127 - 129
• a: 8.252 ± 0.006 Å
• b: 18.144 ± 0.01 Å
• c: 13.58 ± 0.008 Å
• α: 90°
• β: 97.61 ± 0.03°
• γ: 90°
• Cell volume: 2015 ± 2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No