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Information card for entry 7042860
Preview
| Coordinates | 7042860.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | methyltrichlorosilane |
|---|---|
| Formula | C H3 Cl3 Si |
| Calculated formula | C H3 Cl3 Si |
| SMILES | Cl[Si](Cl)(Cl)C |
| Title of publication | Molecular structures of various alkyldichlorosilanes in the solid state |
| Authors of publication | Wagler, Jörg; Gericke, Robert |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 9.877 ± 0.0008 Å |
| b | 6.3981 ± 0.0003 Å |
| c | 9.8704 ± 0.0007 Å |
| α | 90° |
| β | 103.471 ± 0.006° |
| γ | 90° |
| Cell volume | 606.59 ± 0.07 Å3 |
| Cell temperature | 165 ± 2 K |
| Ambient diffraction temperature | 165 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0503 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195902 (current) | 2017-05-03 | cif/ Adding structures of 7042855, 7042856, 7042857, 7042858, 7042859, 7042860 via cif-deposit CGI script. |
7042860.cif |
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Users of the data should acknowledge the original authors of the
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