Information card for entry 4124964

Structure parameters

• Formula: C41 H51 Cl O8 Si4
• Calculated formula: C41 H51 Cl O8 Si4
• SMILES: ClC.[Si]1(Oc2c(c3O[Si](Oc4c(c5O[Si](Oc6c(c7O[Si](Oc8c(c(O1)c1Cc2cc3Cc4cc5Cc6cc7Cc8c1)C)(C)C)C)(C)C)C)(C)C)C)(C)C
• Title of publication: Enclathration and Confinement of Small Gases by the Intrinsically 0D Porous Molecular Solid, Me,H,SiMe2.
• Authors of publication: Kane, Christopher M.; Banisafar, Arash; Dougherty, Timothy P.; Barbour, Leonard J.; Holman, K. Travis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 13
• Pages of publication: 4377 - 4392
• a: 23.819 ± 0.002 Å
• b: 8.3375 ± 0.0009 Å
• c: 42.216 ± 0.004 Å
• α: 90°
• β: 99.032 ± 0.001°
• γ: 90°
• Cell volume: 8279.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No