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Information card for entry 8106732
Preview
| Coordinates | 8106732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 O5 P Re |
|---|---|
| Calculated formula | C29 H28 O5 P Re |
| SMILES | C(#[O])[Re]1(C#[O])(C#[O])([O]=C(C)C=C(C)O1)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Crystal structure of fac-(acetylacetonato-κ 2 O,O′)tricarbonyl(tri(p-tolyl)phosphine-κP)rhenium(I), C29H28O5PRe |
| Authors of publication | Manicum, Amanda-Lee; Schutte-Smith, Marietjie; Visser, Hendrik G. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 951 - 955 |
| a | 12.733 ± 0.005 Å |
| b | 18.668 ± 0.005 Å |
| c | 24.779 ± 0.005 Å |
| α | 101.442 ± 0.005° |
| β | 100.844 ± 0.005° |
| γ | 104.24 ± 0.005° |
| Cell volume | 5419 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280835 (current) | 2023-02-09 | cif/ Adding structures of 8106732 via cif-deposit CGI script. |
8106732.cif |
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Users of the data should acknowledge the original authors of the
structural data.