Information card for entry 1519325

Structure parameters

• Formula: C64 H76 F N O12 Si8
• Calculated formula: C64 H76 F N O12 Si8
• SMILES: [Si]12(O[Si]3(O[Si]4(O[Si](O1)(O[Si]1(O[Si](O[Si](O[Si](O1)(O2)c1ccccc1)(O3)c1ccccc1)(O4)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[F-].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Tetra-n-butylammonium octaphenyloctasilasesquioxane fluoride clathrate
• Authors of publication: Light, Mark E.; Hursthouse, Michael B.; Taylor, P. G.; Pourny, M.; Bassindale, A. R.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 128
• a: 23.8267 ± 0.0004 Å
• b: 12.9976 ± 0.0003 Å
• c: 22.1794 ± 0.0005 Å
• α: 90°
• β: 108.155 ± 0.0012°
• γ: 90°
• Cell volume: 6526.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No