Information card for entry 7211182

Structure parameters

• Formula: C131 H107 Mn6 N6 O43
• Calculated formula: C131 H104 Mn6 N6 O43
• Title of publication: Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands
• Authors of publication: Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 41
• Pages of publication: 8320
• a: 15.3269 ± 0.0012 Å
• b: 25.4411 ± 0.0018 Å
• c: 31.096 ± 0.002 Å
• α: 73.244 ± 0.002°
• β: 80.178 ± 0.002°
• γ: 82.093 ± 0.002°
• Cell volume: 11390 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.187
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No