Information card for entry 4133180

Structure parameters

• Formula: C42 H99 Cl6 N6 O16.5
• Calculated formula: C42 H66 Cl6 N6 O16.4999
• Title of publication: Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.
• Authors of publication: Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 44
• Pages of publication: 14571 - 14575
• a: 22.378 ± 0.002 Å
• b: 22.378 ± 0.002 Å
• c: 7.1487 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3100.3 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.1137
• Weighted residual factors for significantly intense reflections: 0.3002
• Weighted residual factors for all reflections included in the refinement: 0.3072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No