Information card for entry 4125679

Structure parameters

• Formula: C132 H90 Cu6 O36
• Calculated formula: C132 H78 Cu6 O36
• Title of publication: Applying the Power of Reticular Chemistry to Finding the Missing alb-MOF Platform Based on the (6,12)-Coordinated Edge-Transitive Net.
• Authors of publication: Chen, Zhijie; Weseliński, Łukasz J; Adil, Karim; Belmabkhout, Youssef; Shkurenko, Aleksander; Jiang, Hao; Bhatt, Prashant M.; Guillerm, Vincent; Dauzon, Emilie; Xue, Dong-Xu; O'Keeffe, Michael; Eddaoudi, Mohamed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 8
• Pages of publication: 3265 - 3274
• a: 24.0888 ± 0.0008 Å
• b: 24.0888 ± 0.0008 Å
• c: 23.9689 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12045.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 192
• Hermann-Mauguin space group symbol: P 6/m c c
• Hall space group symbol: -P 6 2c
• Residual factor for all reflections: 0.2214
• Residual factor for significantly intense reflections: 0.1845
• Weighted residual factors for significantly intense reflections: 0.5151
• Weighted residual factors for all reflections included in the refinement: 0.5606
• Goodness-of-fit parameter for all reflections included in the refinement: 2.837
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No