Information card for entry 4117667

Structure parameters

• Formula: C72 H58 In2 Mg2 N0 O26
• Calculated formula: C72 H40 In2 Mg2 O26
• Title of publication: Development of Composite Inorganic Building Blocks for MOFs
• Authors of publication: Shou-Tian Zheng; Tao Wu; Chengtsung Chou; Addis Fuhr; Pingyun Feng; Xianhui Bu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4517 - 4520
• a: 32.2214 ± 0.0003 Å
• b: 32.2214 ± 0.0003 Å
• c: 92.442 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 83117 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No