Information card for entry 8105812

Structure parameters

• Formula: C32 H38 Mn N10 O10
• Calculated formula: C32 H38 Mn N10 O10
• 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)] terephthalate tetrahydrate, MnC32H38N10O10
• Authors of publication: Zhu, Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 663 - 664
• a: 8.508 ± 0.002 Å
• b: 8.659 ± 0.003 Å
• c: 12.755 ± 0.004 Å
• α: 71.12 ± 0.01°
• β: 84.432 ± 0.016°
• γ: 88.133 ± 0.016°
• Cell volume: 884.9 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223.15 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: 0.0521
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No