Information card for entry 4341977

Structure parameters

• Formula: C128 H168 Mn8 N24 O48
• Calculated formula: C128 H166 Mn8 N24 O48
• Title of publication: Assembly of Metal-Organic Frameworks Based on 3,3',5,5'-Azobenzene-tetracarboxylic Acid: Photoluminescences, Magnetic Properties, and Gas Separations.
• Authors of publication: Zhang, Shaowei; Ma, Jiangong; Zhang, Xiaoping; Duan, Eryue; Cheng, Peng
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 586 - 595
• a: 14.34 ± 0.0004 Å
• b: 14.0474 ± 0.0004 Å
• c: 22.1387 ± 0.0007 Å
• α: 90°
• β: 100.6 ± 0.003°
• γ: 90°
• Cell volume: 4383.5 ± 0.2 ų
• Cell temperature: 126.75 ± 0.1 K
• Ambient diffraction temperature: 126.75 ± 0.1 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: 0.0636
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No