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Information card for entry 4085853
Preview
| Coordinates | 4085853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H39 N2 Ta |
|---|---|
| Calculated formula | C28 H39 N2 Ta |
| SMILES | [Ta](N(C)C)(N(C)C)(CC)(CC)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds |
| Authors of publication | Sattler, Aaron; Parkin, Gerard |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 10 |
| Pages of publication | 1828 |
| a | 8.3648 ± 0.0012 Å |
| b | 11.9259 ± 0.0016 Å |
| c | 14.1706 ± 0.0019 Å |
| α | 81 ± 0.002° |
| β | 74.04 ± 0.002° |
| γ | 72.405 ± 0.002° |
| Cell volume | 1291.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
4085853.cif |
| 141375 | 2015-07-09 | cif/ Updating files of 4085842, 4085843, 4085844, 4085845, 4085846, 4085847, 4085848, 4085849, 4085850, 4085851, 4085852, 4085853, 4085854, 4085855, 4085856, 4085857 Original log message: Adding full bibliography for 4085842--4085857.cif. |
4085853.cif |
| 136846 | 2015-05-18 | cif/ Adding structures of 4085842, 4085843, 4085844, 4085845, 4085846, 4085847, 4085848, 4085849, 4085850, 4085851, 4085852, 4085853, 4085854, 4085855, 4085856, 4085857 via cif-deposit CGI script. |
4085853.cif |
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Users of the data should acknowledge the original authors of the
structural data.