Information card for entry 8106550

Structure parameters

• Formula: C80 H72 Mn2 N20 O20
• Calculated formula: C80 H72 Mn2 N20 O20
• Title of publication: Crystal structure of a diaqua-bis(3,5-di(1H-imidazol-1-yl)pyridine-κN)-bis(2-(4-carboxy-phenyl)acetato-κO]manganese(II), C40H36MnN10O10
• Authors of publication: Ju, Feng-Yang; Guo, Wen-Bo; Li, Yun-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 405 - 407
• a: 21.8966 ± 0.0012 Å
• b: 7.2586 ± 0.0004 Å
• c: 12.2346 ± 0.0006 Å
• α: 90°
• β: 98.232 ± 0.001°
• γ: 90°
• Cell volume: 1924.52 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0414
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0847
• 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: No
• Has Fobs: No