Information card for entry 7211180

Structure parameters

• Formula: C64 H50 Mn3 N4 O19
• Calculated formula: C64 H50 Mn3 N4 O19
• 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: 29.96 ± 0.007 Å
• b: 20.191 ± 0.005 Å
• c: 16.386 ± 0.004 Å
• α: 90°
• β: 110.129 ± 0.004°
• γ: 90°
• Cell volume: 9307 ± 4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.275
• Weighted residual factors for all reflections included in the refinement: 0.3136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No