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Information card for entry 4344726
Preview
| Coordinates | 4344726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H97 N15 Ti2 |
|---|---|
| Calculated formula | C45 H97 N15 Ti2 |
| Title of publication | Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives. |
| Authors of publication | Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 3 |
| Pages of publication | 1142 - 1153 |
| a | 21.7362 ± 0.0014 Å |
| b | 15.8393 ± 0.0007 Å |
| c | 19.1596 ± 0.0012 Å |
| α | 90° |
| β | 120.972 ± 0.009° |
| γ | 90° |
| Cell volume | 5655.9 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344726.cif |
| 175595 | 2016-02-04 | cif/ Adding structures of 4344726 via cif-deposit CGI script. |
4344726.cif |
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Users of the data should acknowledge the original authors of the
structural data.