Information card for entry 4126096

Structure parameters

• Formula: C51 H34 Fe3 N6 O13
• Calculated formula: C51 H34 Fe3 N6 O13
• Title of publication: Effect of Imidazole Arrangements on Proton-Conductivity in Metal-Organic Frameworks.
• Authors of publication: Zhang, Feng-Ming; Dong, Long-Zhang; Qin, Jun-Sheng; Guan, Wei; Liu, Jiang; Li, Shun-Li; Lu, Meng; Lan, Ya-Qian; Su, Zhong-Min; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6183 - 6189
• a: 27.696 ± 0.005 Å
• b: 27.696 Å
• c: 72.829 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 48380 ± 12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.45 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.121
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No