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Information card for entry 1550576
Preview
| Coordinates | 1550576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H28 Cl3 O P Ru |
|---|---|
| Calculated formula | C21 H28 Cl3 O P Ru |
| SMILES | [Ru]12345(Cl)(Cl)([P](Cl)(C(=O)c6ccccc6)C(C)(C)C)[c]6(C(C)C)[cH]1[cH]4[c]5([cH]3[cH]26)C |
| Title of publication | Synthesis of acyl(chloro)phosphines enabled by phosphinidene transfer |
| Authors of publication | Szkop, Kevin M.; Geeson, Michael Baily; Stephan, Douglas W.; Cummins, Christopher |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 15.7335 ± 0.0009 Å |
| b | 7.0904 ± 0.0004 Å |
| c | 20.8392 ± 0.0011 Å |
| α | 90° |
| β | 105.282 ± 0.002° |
| γ | 90° |
| Cell volume | 2242.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.257 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213534 (current) | 2019-02-08 | cif/ Adding structures of 1550575, 1550576, 1550577 via cif-deposit CGI script. |
1550576.cif |
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Users of the data should acknowledge the original authors of the
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