Information card for entry 7236594

Structure parameters

• Chemical name: BUT-83
• Formula: C44 H24 Co N6 O4
• Calculated formula: C44 H24 Co N6 O4
• Title of publication: A stable porphyrinic metal‒organic framework pore-functionalized by high-density carboxylic groups for proton conduction
• Authors of publication: Wu, Hao; Yang, Fan; Lv, Xiu-Liang; Wang, Bin; Zhang, Yong-Zheng; Zhao, Min-Jian; Li, Jian-Rong
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 28
• Pages of publication: 14525
• a: 33.0267 ± 0.0005 Å
• b: 33.0267 ± 0.0005 Å
• c: 9.1815 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8673.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No