Information card for entry 4133793

Structure parameters

• Formula: C141 H133 N3 O53 Y9
• Calculated formula: C135 H81 O53 Y9
• Title of publication: Enriching the Reticular Chemistry Repertoire with Minimal Edge-Transitive Related Nets: Access to Highly Coordinated Metal-Organic Frameworks Based on Double Six-Membered Rings as Net-Coded Building Units.
• Authors of publication: Chen, Zhijie; Thiam, Zeynabou; Shkurenko, Aleksander; Weselinski, Lukasz J.; Adil, Karim; Jiang, Hao; Alezi, Dalal; Assen, Ayalew H.; O'Keeffe, Michael; Eddaoudi, Mohamed
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 51
• Pages of publication: 20480 - 20489
• a: 43.475 ± 0.002 Å
• b: 43.475 ± 0.002 Å
• c: 43.475 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 82171 ± 7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.3707
• Weighted residual factors for all reflections included in the refinement: 0.3865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.944
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No