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Information card for entry 2023459
Preview
| Coordinates | 2023459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (4-Benzyl-1-ethyl-1,2,4-triazol-5-ylidene)chlorido[(1,2,5,6-η)-cycloocta-1,5-diene]rhodium(I) |
|---|---|
| Formula | C19 H25 Cl N3 Rh |
| Calculated formula | C19 H25 Cl N3 Rh |
| Title of publication | Syntheses and crystal structures of 4-benzyl-1-ethyl-1,2,4-triazolium bromide and its corresponding NHC complexes of rhodium and iridium. |
| Authors of publication | Lerch, Timothy G.; Albert, Daniel R.; Gau, Michael; Rajaseelan, Edward |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 4 |
| Pages of publication | 350 - 357 |
| a | 10.1404 ± 0.0002 Å |
| b | 10.2958 ± 0.0002 Å |
| c | 10.3306 ± 0.0002 Å |
| α | 116.818 ± 0.002° |
| β | 103.489 ± 0.002° |
| γ | 93.997 ± 0.002° |
| Cell volume | 916.78 ± 0.04 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299528 (current) | 2025-05-03 | cif/ Updating files of 2023458, 2023459, 2023460, 2023461 Original log message: Adding full bibliography for 2023458--2023461.cif. |
2023459.cif |
| 298641 | 2025-03-28 | cif/ Adding structures of 2023458, 2023459, 2023460, 2023461 via cif-deposit CGI script. |
2023459.cif |
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Users of the data should acknowledge the original authors of the
structural data.