Information card for entry 4326021

Structure parameters

• Formula: C12 H12 Mn O6
• Calculated formula: C12 H12 Mn O6
• Title of publication: Magnetic Ordering in Three-Dimensional Metal-Organic Frameworks Based on Carboxylate Bridged Square-Grid Layers
• Authors of publication: Qian Sun; Ai-ling Cheng; Yan-Qin Wang; Yu Ma; En-Qing Gao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8144 - 8152
• a: 13.088 ± 0.005 Å
• b: 6.461 ± 0.002 Å
• c: 7.461 ± 0.003 Å
• α: 90°
• β: 90.175 ± 0.005°
• γ: 90°
• Cell volume: 630.9 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0571
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No