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Information card for entry 4087350
Preview
| Coordinates | 4087350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 Cl N3 S2 Ta |
|---|---|
| Calculated formula | C28 H34 Cl N3 S2 Ta |
| Title of publication | Synthesis of a Bis(thiophenolate)pyridine Ligand and Its Titanium, Zirconium, and Tantalum Complexes. |
| Authors of publication | Lenton, Taylor N.; VanderVelde, David G.; Bercaw, John E. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Pages of publication | 7492 - 7499 |
| a | 28.2002 ± 0.0012 Å |
| b | 13.4469 ± 0.0006 Å |
| c | 14.703 ± 0.0007 Å |
| α | 90° |
| β | 101.852 ± 0.002° |
| γ | 90° |
| Cell volume | 5456.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0311 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0295 |
| Weighted residual factors for all reflections included in the refinement | 0.0302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.464 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201977 (current) | 2017-10-13 | cif/ Adding structures of 4087350 via cif-deposit CGI script. |
4087350.cif |
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Users of the data should acknowledge the original authors of the
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