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Information card for entry 7239406
Preview
| Coordinates | 7239406.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H34 N6 O2 Ti |
|---|---|
| Calculated formula | C28 H34 N6 O2 Ti |
| Title of publication | Titanium isopropoxide complexes supported by pyrrolyl Schiff base ligands: syntheses, structures, and antitumor activity |
| Authors of publication | Lin, Miaoshui; Cao, Yuhua; Pei, Hao; Chen, Yanmei; Wu, Jian; Li, Yahong; Liu, Wei |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 18 |
| Pages of publication | 9255 |
| a | 10.2191 ± 0.0008 Å |
| b | 11.418 ± 0.001 Å |
| c | 24.491 ± 0.002 Å |
| α | 90° |
| β | 100.554 ± 0.002° |
| γ | 90° |
| Cell volume | 2809.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1842 |
| Weighted residual factors for all reflections included in the refinement | 0.1906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239406.cif |
| 244687 | 2019-11-28 | cif/ Adding structures of 7239406, 7239407 via cif-deposit CGI script. |
7239406.cif |
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Users of the data should acknowledge the original authors of the
structural data.