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Information card for entry 8106962
Preview
| Coordinates | 8106962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H23 Cl2 O Ti |
|---|---|
| Calculated formula | C14 H23 Cl2 O Ti |
| Title of publication | Crystal structure of (η 5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi |
| Authors of publication | Oswald, Tim; Schmidtmann, Marc; Beckhaus, Ruediger |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 637 - 639 |
| a | 12.3163 ± 0.0007 Å |
| b | 9.0436 ± 0.0005 Å |
| c | 15.0774 ± 0.0008 Å |
| α | 90° |
| β | 103.245 ± 0.0018° |
| γ | 90° |
| Cell volume | 1634.7 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282013 (current) | 2023-03-23 | cif/ Adding structures of 8106962 via cif-deposit CGI script. |
8106962.cif |
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Users of the data should acknowledge the original authors of the
structural data.