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Information card for entry 8105862
Preview
| Coordinates | 8105862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Cl3 N4 Sn |
|---|---|
| Calculated formula | C13 H15 Cl3 N4 Sn |
| SMILES | [Sn](Cl)(Cl)(Cl)([n]1[nH]ccc1)([n]1[nH]ccc1)Cc1ccccc1 |
| Title of publication | Crystal structure of benzyltrichloridobis(1H-pyrazole-κ2 N)tin(IV), C13H15Cl3N4Sn |
| Authors of publication | Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 821 - 822 |
| a | 32.4593 ± 0.0004 Å |
| b | 7.434 ± 0.0001 Å |
| c | 14.7108 ± 0.0002 Å |
| α | 90° |
| β | 106.084 ± 0.001° |
| γ | 90° |
| Cell volume | 3410.8 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.016 |
| Residual factor for significantly intense reflections | 0.0151 |
| Weighted residual factors for significantly intense reflections | 0.0401 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278167 (current) | 2022-09-26 | cif/ Adding structures of 8105862 via cif-deposit CGI script. |
8105862.cif |
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Users of the data should acknowledge the original authors of the
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