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Information card for entry 4089136
Preview
| Coordinates | 4089136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H52 P2 Ru |
|---|---|
| Calculated formula | C47 H52 P2 Ru |
| SMILES | [Ru]12345([P](CC5c5ccccc5)(C5CCCCC5)C5CCCCC5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[c]13cccc[c]451 |
| Title of publication | Alkene Insertions into a Ru‒PR2 Bond |
| Authors of publication | Burton, Krista M. E.; Pantazis, Dimitrios A.; Belli, Roman G.; McDonald, Robert; Rosenberg, Lisa |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 23 |
| Pages of publication | 3970 |
| a | 14.6811 ± 0.0013 Å |
| b | 13.3276 ± 0.0012 Å |
| c | 20.0712 ± 0.0018 Å |
| α | 90° |
| β | 99.3409 ± 0.0012° |
| γ | 90° |
| Cell volume | 3875.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.0525 |
| Weighted residual factors for all reflections included in the refinement | 0.0546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238006 (current) | 2019-11-24 | cif/ Adding structures of 4089136, 4089137 via cif-deposit CGI script. |
4089136.cif |
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Users of the data should acknowledge the original authors of the
structural data.