Information card for entry 4512334

Structure parameters

• Formula: C167 H144 Mn6 N7 O34
• Calculated formula: C167 H144 Mn6 N7 O34
• Title of publication: Syntheses, Crystal Structures, and Properties of Two 2-Fold Interpenetrating Metal‒Organic Frameworks Based on a Trigonal Rigid Ligand
• Authors of publication: Yang, Jie; Wang, Xiaoqing; Wang, Rongming; Zhang, Liangliang; Liu, Fuling; Dai, Fangna; Sun, Daofeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6521
• a: 13.8783 ± 0.0005 Å
• b: 20.3674 ± 0.0008 Å
• c: 21.0344 ± 0.0005 Å
• α: 62.572 ± 0.003°
• β: 82.489 ± 0.003°
• γ: 73.85 ± 0.003°
• Cell volume: 5069.1 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.151
• Residual factor for significantly intense reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.3552
• Weighted residual factors for all reflections included in the refinement: 0.3883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No