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Information card for entry 7037958
Preview
| Coordinates | 7037958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30.5 H43 Cl N3 P Si3 Ti |
|---|---|
| Calculated formula | C30.5 H43 Cl N3 P Si3 Ti |
| Title of publication | Cyclometalated titanium and zirconium complexes stabilised by a new silylmethylene-linked tetradentate triamidophosphine. |
| Authors of publication | Sietzen, M.; Federmann, P.; Sonnenschein, C.; Wadepohl, H.; Ballmann, J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 7 |
| Pages of publication | 3013 - 3023 |
| a | 10.90658 ± 0.0001 Å |
| b | 18.00949 ± 0.00016 Å |
| c | 17.67069 ± 0.00016 Å |
| α | 90° |
| β | 101.844 ± 0.0009° |
| γ | 90° |
| Cell volume | 3397.01 ± 0.05 Å3 |
| Cell temperature | 110 ± 1 K |
| Ambient diffraction temperature | 110 ± 1 K |
| Number of distinct elements | 7 |
| 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7037958.cif |
| 177783 | 2016-03-05 | cif/ Updating files of 7037956, 7037957, 7037958, 7037959, 7037960, 7037961, 7037962, 7037963 Original log message: Adding full bibliography for 7037956--7037963.cif. |
7037958.cif |
| 174457 | 2016-01-14 | cif/ Adding structures of 7037956, 7037957, 7037958, 7037959, 7037960, 7037961, 7037962, 7037963 via cif-deposit CGI script. |
7037958.cif |
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Users of the data should acknowledge the original authors of the
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