Information card for entry 7126683

Structure parameters

• Formula: C24 H32 Hf1.5 N3 O9.5 Si
• Calculated formula: C15 H11 Hf1.5 O8.5 Si
• Title of publication: Stable metal-organic frameworks with low water affinity built from methyl-siloxane linkers.
• Authors of publication: Delmas, Luke C.; White, Andrew J. P.; Pugh, David; Evans, Arwyn; Isbell, Mark Antonin; Heng, Jerry Y. Y.; Lickiss, Paul D.; Davies, Robert P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 57
• Pages of publication: 7905 - 7908
• a: 17.2191 ± 0.00016 Å
• b: 30.6244 ± 0.0002 Å
• c: 27.1584 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14321.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No