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Information card for entry 2021781
Preview
| Coordinates | 2021781.cif |
|---|---|
| Structure factors | 2021781.hkl |
| Original IUCr paper | HTML |
| Chemical name | {Bis[(2-diphenylphosphanyl)phenyl] ether-κ^2^<i>P</i>,<i>P</i>'}[η^4^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-\ diene]rhodium(I) tetrafluoridoborate dichloromethane monosolvate |
|---|---|
| Formula | C45 H42 B Cl2 F4 O P2 Rh |
| Calculated formula | C45 H42 B Cl2 F4 O P2 Rh |
| Title of publication | Two precatalysts for application in propargylic CH activation |
| Authors of publication | Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 10 |
| a | 11.3056 ± 0.0003 Å |
| b | 12.8231 ± 0.0004 Å |
| c | 14.6101 ± 0.0004 Å |
| α | 83.286 ± 0.001° |
| β | 74.695 ± 0.001° |
| γ | 72.262 ± 0.001° |
| Cell volume | 1944.29 ± 0.1 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218906 (current) | 2019-09-28 | cif/ hkl/ Adding structures of 2021780, 2021781, 2021782 via cif-deposit CGI script. |
2021781.cif 2021781.hkl |
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Users of the data should acknowledge the original authors of the
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