Information card for entry 7112205

Structure parameters

• Formula: C47 H35 Mn2 N O12
• Calculated formula: C47 H35 Mn2 N O12
• Title of publication: A highly stable MOF with a rod SBU and a tetracarboxylate linker: unusual topology and CO2 adsorption behaviour under ambient conditions
• Authors of publication: Ru-Jin Li; Mian Li; Xiao-Ping Zhou; Dan Li; Michael O'Keeffe
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4047
• a: 6.997 ± 0.0002 Å
• b: 25.4831 ± 0.0009 Å
• c: 28.2642 ± 0.0008 Å
• α: 90°
• β: 92.712 ± 0.002°
• γ: 90°
• Cell volume: 5034 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1418
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.3062
• Weighted residual factors for all reflections included in the refinement: 0.3306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No