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Information card for entry 1519394
Preview
| Coordinates | 1519394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C53 H73 N2 O2 Si4 Th |
|---|---|
| Calculated formula | C53 H73 N2 O2 Si4 Th |
| Title of publication | Thorium–ligand multiple bonds via reductive deprotection of a trityl group |
| Authors of publication | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 3891 |
| a | 12.955 ± 0.002 Å |
| b | 13.0253 ± 0.0019 Å |
| c | 16.867 ± 0.002 Å |
| α | 85.654 ± 0.003° |
| β | 77.178 ± 0.003° |
| γ | 79.336 ± 0.003° |
| Cell volume | 2725.5 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519394.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519394.cif |
| 143331 | 2015-07-10 | cif/ Updating files of 1519391, 1519392, 1519393, 1519394, 1519395, 1519396, 1519397 Original log message: Adding full bibliography for 1519391--1519397.cif. |
1519394.cif |
| 135790 | 2015-05-09 | cif/ Adding structures of 1519391, 1519392, 1519393, 1519394, 1519395, 1519396, 1519397 via cif-deposit CGI script. |
1519394.cif |
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Users of the data should acknowledge the original authors of the
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