Information card for entry 7211179

Structure parameters

• Formula: C72 H56 Mn3 N4 O19
• Calculated formula: C72 H56 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: 23.643 ± 0.009 Å
• b: 10.85 ± 0.005 Å
• c: 34.239 ± 0.015 Å
• α: 90°
• β: 100.091 ± 0.011°
• γ: 90°
• Cell volume: 8647 ± 6 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: 0.1128
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No