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Information card for entry 4132562
Preview
| Coordinates | 4132562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H71 Cr N2 P |
|---|---|
| Calculated formula | C47 H59 Cr N2 P |
| SMILES | [Cr]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=CC(C)(C)C |
| Title of publication | Structure and Reactivity of Chromium(VI) Alkylidenes. |
| Authors of publication | Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 23 |
| Pages of publication | 7088 - 7091 |
| a | 12.4593 ± 0.0004 Å |
| b | 12.8057 ± 0.0004 Å |
| c | 30.868 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4925 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1055 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242522 (current) | 2019-11-26 | cif/ Adding structures of 4132562 via cif-deposit CGI script. |
4132562.cif |
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Users of the data should acknowledge the original authors of the
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