Information card for entry 4503484

Structure parameters

• Formula: C56 H66 Mn8 N8 O57
• Calculated formula: C56 H62 Mn8 N8 O57
• Title of publication: Novel Inorganic‒Organic Hybrid Frameworks of Manganese(II): Syntheses, Crystal Structures, and Physical Properties
• Authors of publication: Bai, Zheng-Shuai; Qi, Zhao-Peng; Lu, Yi; Yuan, Qing; Sun, Wei-Yin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1924
• a: 6.8815 ± 0.0006 Å
• b: 12.8502 ± 0.0012 Å
• c: 21.837 ± 0.002 Å
• α: 90°
• β: 91.72 ± 0.002°
• γ: 90°
• Cell volume: 1930.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No