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Information card for entry 4130935
Preview
| Coordinates | 4130935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | H8-2-290K |
|---|---|
| Formula | C65 H72 B F24 P2 Rh |
| Calculated formula | C65 H72 B F24 P2 Rh |
| Title of publication | Selective C-H Activation at a Molecular Rhodium Sigma-Alkane Complex by Solid/Gas Single-Crystal to Single-Crystal H/D Exchange. |
| Authors of publication | Chadwick, F. Mark; Krämer, Tobias; Gutmann, Torsten; Rees, Nicholas H.; Thompson, Amber L.; Edwards, Alison J.; Buntkowsky, Gerd; Macgregor, Stuart A.; Weller, Andrew S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 40 |
| Pages of publication | 13369 - 13378 |
| a | 19.1 ± 0.002 Å |
| b | 18.289 ± 0.0009 Å |
| c | 27.926 ± 0.003 Å |
| α | 90° |
| β | 134.55 ± 0.02° |
| γ | 90° |
| Cell volume | 6952 ± 3 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 K |
| Number of distinct elements | 6 |
| 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 | 0.0776 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections | 0.1879 |
| Weighted residual factors for significantly intense reflections | 0.1632 |
| Weighted residual factors for all reflections included in the refinement | 0.1876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8662 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4130935.cif |
| 241268 | 2019-11-25 | cif/ Adding structures of 4130932, 4130933, 4130934, 4130935, 4130936 via cif-deposit CGI script. |
4130935.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.