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Information card for entry 7119091
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| Coordinates | 7119091.cif |
|---|
| Chemical name | Compound 1 |
|---|---|
| Formula | C12 H28.5 B10 Br N2.5 |
| Calculated formula | C12 H28.5 B10 Br N2.5 |
| Title of publication | Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium |
| Authors of publication | Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans |
| Journal of publication | Chem.Commun. |
| Year of publication | 2016 |
| Journal volume | 52 |
| Pages of publication | 6443 |
| a | 7.6257 ± 0.0003 Å |
| b | 25.7293 ± 0.001 Å |
| c | 10.2076 ± 0.0006 Å |
| α | 90° |
| β | 92.279 ± 0.004° |
| γ | 90° |
| Cell volume | 2001.19 ± 0.16 Å3 |
| Cell temperature | 119.99 ± 0.14 K |
| Ambient diffraction temperature | 119.99 ± 0.14 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184125 (current) | 2016-07-01 | cif/ Adding structures of 7119091, 7119092, 7119093, 7119094, 7119095, 7119096, 7119097 via cif-deposit CGI script. |
7119091.cif |
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Users of the data should acknowledge the original authors of the
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