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Information card for entry 7119097
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| Coordinates | 7119097.cif |
|---|
| Formula | C19 H37 B10 N2 Rh |
|---|---|
| Calculated formula | C19 H37 B10 N2 Rh |
| SMILES | [Rh]1234([C]5678[C]9%10%11(CCN%12C=CN(C=1%12)C(C)(C)C)[BH]1%125[BH]5%136[BH]6%147[BH]789[BH]89%14[BH]%14%136[BH]6%125[BH]5%101[BH]%1178[BH]9%1465)[CH]1CC[CH]2=[CH]3CC[CH]4=1 |
| 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 | 17.2832 ± 0.0005 Å |
| b | 10.5283 ± 0.0002 Å |
| c | 14.1775 ± 0.0004 Å |
| α | 90° |
| β | 113.02 ± 0.003° |
| γ | 90° |
| Cell volume | 2374.34 ± 0.12 Å3 |
| Cell temperature | 119.99 ± 0.1 K |
| Ambient diffraction temperature | 119.99 ± 0.1 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 | 0.0565 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7119097.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.