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Information card for entry 1567136
Preview
| Coordinates | 1567136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Ge9{Si(SiMe3)}3RhH(PPh3)][B{C6H3(CF3)2}4]*1.5hex |
|---|---|
| Formula | C86 H130 B F24 Ge9 P Rh Si12 |
| Calculated formula | C86 H130 B F24 Ge9 P Rh Si12 |
| Title of publication | Zintl cluster supported low coordinate Rh(i) centers for catalytic H/D exchange between H2 and D2 |
| Authors of publication | Townrow, Oliver P. E.; Duckett, Simon B.; Weller, Andrew S.; Goicoechea, Jose M. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 15.0839 ± 0.0002 Å |
| b | 19.3502 ± 0.0003 Å |
| c | 21.6497 ± 0.0004 Å |
| α | 106.313 ± 0.001° |
| β | 96.757 ± 0.001° |
| γ | 92.771 ± 0.001° |
| Cell volume | 6000.52 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276054 (current) | 2022-06-16 | cif/ Adding structures of 1567135, 1567136, 1567137, 1567138, 1567139 via cif-deposit CGI script. |
1567136.cif |
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Users of the data should acknowledge the original authors of the
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