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Information card for entry 4088938
Preview
| Coordinates | 4088938.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | LKR-606 |
|---|---|
| Formula | C6 H11 O2 Re S3 |
| Calculated formula | C6 H11 O2 Re S3 |
| Title of publication | Effect of the Ancillary Ligand on the Mechanism for CO Migratory Insertion in High-Valent Oxorhenium Complexes |
| Authors of publication | Robbins, Leanna K.; Lilly, Cassandra P.; Sommer, Roger D.; Ison, Elon A. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 20 |
| Pages of publication | 3530 |
| a | 9.1938 ± 0.0003 Å |
| b | 11.5524 ± 0.0004 Å |
| c | 9.6348 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1023.32 ± 0.06 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0179 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.0424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237894 (current) | 2019-11-24 | cif/ Adding structures of 4088938, 4088939, 4088940, 4088941, 4088942, 4088943 via cif-deposit CGI script. |
4088938.cif |
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Users of the data should acknowledge the original authors of the
structural data.