Information card for entry 4505626

Structure parameters

• Formula: C114 H90 Mn5 N18 O21
• Calculated formula: C114 H90 Mn5 N18 O21
• Title of publication: Two Unprecedented Transition-Metal‒Organic Frameworks Showing One Dimensional-Hexagonal Channel Open Network and Two-Dimensional Sheet Structures
• Authors of publication: Wang, Chengjie; Wang, Tao; Zhang, Wan; Lu, Huijie; Li, Gang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1091
• a: 21.9033 ± 0.0016 Å
• b: 22.7086 ± 0.0016 Å
• c: 21.3286 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10608.7 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No