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Information card for entry 1519325
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Coordinates | 1519325.cif |
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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 Å3 |
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 |
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