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Information card for entry 4517174
Preview
| Coordinates | 4517174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H53 N O3.5 P2 Ru |
|---|---|
| Calculated formula | C55 H53 N O3.5 P2 Ru |
| Title of publication | Late-Stage Diversification by Selectivity Switch in meta-C‒H Activation: Evidence for Singlet Stabilization |
| Authors of publication | Korvorapun, Korkit; Kuniyil, Rositha; Ackermann, Lutz |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Pages of publication | 435 |
| a | 11.9019 ± 0.0007 Å |
| b | 15.2039 ± 0.0009 Å |
| c | 24.7562 ± 0.0015 Å |
| α | 90° |
| β | 93.907 ± 0.003° |
| γ | 90° |
| Cell volume | 4469.4 ± 0.5 Å3 |
| Cell temperature | 99.99 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245068 (current) | 2019-12-14 | cif/ Adding structures of 4517174 via cif-deposit CGI script. |
4517174.cif |
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