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Information card for entry 1544654
Preview
| Coordinates | 1544654.cif |
|---|---|
| Structure factors | 1544654.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane |
|---|---|
| Formula | C60 H50 Cl2 Si5 |
| Calculated formula | C60 H50 Cl2 Si5 |
| SMILES | Cl[Si]([Si]([Si]([Si]([Si](Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | 1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane |
| Authors of publication | Neumeyer, Felix; Kotil, Leyla; Auner, Norbert; Bolte, Michael |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 11 |
| Pages of publication | x161812 |
| a | 11.6675 ± 0.0006 Å |
| b | 33.682 ± 0.002 Å |
| c | 13.3653 ± 0.0007 Å |
| α | 90° |
| β | 94.184 ± 0.004° |
| γ | 90° |
| Cell volume | 5238.4 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.1841 |
| Weighted residual factors for all reflections included in the refinement | 0.189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188635 (current) | 2016-11-23 | cif/ hkl/ Adding structures of 1544654 via cif-deposit CGI script. |
1544654.cif 1544654.hkl |
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Users of the data should acknowledge the original authors of the
structural data.