Information card for entry 4124967

Structure parameters

• Formula: C40.74 H49.48 Br0.74 Cl0.74 O8 Si4
• Calculated formula: C40.74 H49.48 Br0.74 Cl0.74 O8 Si4
• 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: 23.765 ± 0.002 Å
• b: 8.4219 ± 0.0007 Å
• c: 42.791 ± 0.004 Å
• α: 90°
• β: 101.108 ± 0.001°
• γ: 90°
• Cell volume: 8404 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No