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Information card for entry 1564362
Preview
| Coordinates | 1564362.cif |
|---|---|
| Structure factors | 1564362.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-\ 1,2,4-triazol-5-ylidene)rhodium(I) |
|---|---|
| Formula | C14 H23 Br0.16 Cl0.84 N3 Rh |
| Calculated formula | C14 H23 Br0.154 Cl0.846 N3 Rh |
| Title of publication | (Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)rhodium(I) |
| Authors of publication | Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | x210811 |
| a | 9.4146 ± 0.0013 Å |
| b | 11.9706 ± 0.0017 Å |
| c | 13.702 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1544.2 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0558 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268078 (current) | 2021-08-14 | cif/ hkl/ Adding structures of 1564362 via cif-deposit CGI script. |
1564362.cif 1564362.hkl |
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Users of the data should acknowledge the original authors of the
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