Information card for entry 7206355

Structure parameters

• Formula: C49 H24 Br16 O12 S2 Si8
• Calculated formula: C49 H24 Br16 O12 S2 Si8
• Title of publication: [PhSiO1.5]8 promotes self-bromination to produce [o-BrPhSiO1.5]8: further bromination gives crystalline [2,5-Br2PhSiO1.5]8 with a density of 2.32 g cm−3 and a calculated refractive index of 1.7 or the tetraicosa bromo compound [Br3PhSiO1.5]8
• Authors of publication: Roll, Mark F.; Mathur, Priyanka; Takahashi, Kunio; Kampf, Jeffrey W.; Laine, R. M.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 11167
• a: 12.7172 ± 0.0009 Å
• b: 12.7392 ± 0.0009 Å
• c: 13.089 ± 0.0009 Å
• α: 97.592 ± 0.001°
• β: 109.075 ± 0.001°
• γ: 116.231 ± 0.001°
• Cell volume: 1699.3 ± 0.2 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No