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Information card for entry 4080891
Preview
| Coordinates | 4080891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Ti(O(CH2CH2NSiMe3)(CH2CH2NC(Me)C(Ph)NSiMe3)NPh2 |
|---|---|
| Formula | C31 H44 N4 O Si2 Ti |
| Calculated formula | C31 H44 N4 O Si2 Ti |
| SMILES | [Ti]123([O](CCN2C(=C(N1[Si](C)(C)C)c1ccccc1)C)CCN3[Si](C)(C)C)N(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands |
| Authors of publication | Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 10 |
| Pages of publication | 3091 |
| a | 10.0433 ± 0.0002 Å |
| b | 19.1205 ± 0.0005 Å |
| c | 16.3472 ± 0.0004 Å |
| α | 90° |
| β | 90.2581 ± 0.0009° |
| γ | 90° |
| Cell volume | 3139.17 ± 0.13 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for all reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.0483 |
| Weighted residual factors for all reflections included in the refinement | 0.0462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1236 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4080891.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4080891.cif |
| 87314 | 2013-07-14 | cif/ Adding structures of 4080880, 4080881, 4080882, 4080883, 4080884, 4080885, 4080886, 4080887, 4080888, 4080889, 4080890, 4080891, 4080892, 4080893 via cif-deposit CGI script. |
4080891.cif |
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Users of the data should acknowledge the original authors of the
structural data.