Information card for entry 7126682

Structure parameters

• Formula: C25.5 H35.5 N3.5 O10 Si Zr1.5
• Calculated formula: C15 H11 O8.5 Si Zr1.5
• 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: 17.2986 ± 0.0005 Å
• b: 30.7451 ± 0.0006 Å
• c: 27.021 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14371 ± 0.6 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0963
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No