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Information card for entry 7230576
Preview
| Coordinates | 7230576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 Br Mo N5 O3 |
|---|---|
| Calculated formula | C19 H24 Br Mo N5 O3 |
| Title of publication | Molybdenum(0) tricarbonyl and tetracarbonyl complexes with a cationic pyrazolylpyridine ligand: synthesis, crystal structures and catalytic performance in olefin epoxidation |
| Authors of publication | Nogueira, Lucie S.; Neves, Patrícia; Gomes, Ana C.; Lavrador, Pedro; Cunha-Silva, Luís; Valente, Anabela A.; Gonçalves, Isabel S.; Pillinger, Martyn |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 29 |
| Pages of publication | 16294 |
| a | 7.406 ± 0.0006 Å |
| b | 9.7868 ± 0.0007 Å |
| c | 15.3808 ± 0.0012 Å |
| α | 90° |
| β | 97.385 ± 0.004° |
| γ | 90° |
| Cell volume | 1105.57 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207600 (current) | 2018-05-01 | cif/ Adding structures of 7230575, 7230576, 7230577 via cif-deposit CGI script. |
7230576.cif |
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Users of the data should acknowledge the original authors of the
structural data.