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Information card for entry 4127374
Preview
| Coordinates | 4127374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H68 B F24 P2 Rh |
|---|---|
| Calculated formula | C62 H68 B F24 P2 Rh |
| Title of publication | Room Temperature Acceptorless Alkane Dehydrogenation from Molecular σ-Alkane Complexes. |
| Authors of publication | McKay, Alasdair I.; Bukvic, Alexander J.; Tegner, Bengt E.; Burnage, Arron L.; Martı Nez-Martı Nez, Antonio J; Rees, Nicholas H.; Macgregor, Stuart A.; Weller, Andrew S. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 29 |
| Pages of publication | 11700 - 11712 |
| a | 12.7582 ± 0.0016 Å |
| b | 12.9595 ± 0.0015 Å |
| c | 19.8097 ± 0.0008 Å |
| α | 92.028 ± 0.006° |
| β | 90.685 ± 0.007° |
| γ | 96.23 ± 0.001° |
| Cell volume | 3253.5 ± 0.6 Å3 |
| Cell temperature | 150.01 ± 0.11 K |
| Ambient diffraction temperature | 150.01 ± 0.11 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1346 |
| Residual factor for significantly intense reflections | 0.1095 |
| Weighted residual factors for significantly intense reflections | 0.2956 |
| Weighted residual factors for all reflections included in the refinement | 0.3237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220654 (current) | 2019-11-02 | cif/ Adding structures of 4127372, 4127373, 4127374, 4127375, 4127376 via cif-deposit CGI script. |
4127374.cif |
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Users of the data should acknowledge the original authors of the
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