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Information card for entry 4332692
Preview
| Coordinates | 4332692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H27 N4 P Ti |
|---|---|
| Calculated formula | C23 H27 N4 P Ti |
| SMILES | C1N(c2ccccc2)[Ti]2(N(CP1CN2c1ccccc1)c1ccccc1)N(C)C |
| Title of publication | Diligating Tripodal Amido-Phosphine Ligands: the Effect of a Proximal Antipodal Early Transition Metal on Phosphine Donor Ability in a Building Block for Heterometallic Complexes |
| Authors of publication | Han, Hua; Elsmaili, Mona; Johnson, Samuel A. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 18 |
| Pages of publication | 7435 - 7445 |
| a | 11.96 ± 0.0008 Å |
| b | 14.4825 ± 0.0009 Å |
| c | 12.8136 ± 0.0008 Å |
| α | 90° |
| β | 90.081 ± 0.001° |
| γ | 90° |
| Cell volume | 2219.5 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0376 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4332692.cif |
| 179429 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/26. |
4332692.cif |
| 98486 | 2014-01-30 | cif/ Adding structures of 4332692 via cif-deposit CGI script. |
4332692.cif |
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Users of the data should acknowledge the original authors of the
structural data.