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Information card for entry 7224046
Preview
| Coordinates | 7224046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H8 Cl3 O3 P2 Re |
|---|---|
| Calculated formula | C13 H8 Cl3 O3 P2 Re |
| SMILES | [Re](Cl)([p]1c(Cl)cccc1)([p]1ccccc1Cl)(C#[O])(C#[O])C#[O] |
| Title of publication | [Re(CO)3Cl(C5H4ClP)2] and [Re(CO)2Cl(C5H4ClP)3]: Synthesis and Characterization of Two Novel Rhenium(I) Phosphinine Complexes |
| Authors of publication | Hollering, Manuela; Reithmeier, Richard; Meister, Simon; Herdtweck, Eberhardt; Kühn, Fritz Elmar; Rieger, Bernhard |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 24.999 ± 0.003 Å |
| b | 9.782 ± 0.001 Å |
| c | 16.742 ± 0.002 Å |
| α | 90° |
| β | 121.979 ± 0.004° |
| γ | 90° |
| Cell volume | 3472.8 ± 0.7 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0264 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175223 (current) | 2016-01-28 | cif/ Adding structures of 7224046, 7224047 via cif-deposit CGI script. |
7224046.cif |
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