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Information card for entry 7037778
Preview
| Coordinates | 7037778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43.5 H36.5 B F4 N2.5 P Ru |
|---|---|
| Calculated formula | C43.5 H36.5 B F4 N2.5 P Ru |
| SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([cH]6[cH]4[cH]3[cH]2[cH]16)=c1n(cccc1)C(=C5c1ccccc1)[n+]1ccccc1.n1ccccc1.[B](F)(F)(F)[F-] |
| Title of publication | Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation. |
| Authors of publication | Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 4 |
| Pages of publication | 1717 - 1726 |
| a | 9.6081 ± 0.0008 Å |
| b | 17.944 ± 0.0007 Å |
| c | 21.3274 ± 0.001 Å |
| α | 99.508 ± 0.004° |
| β | 101.789 ± 0.006° |
| γ | 90.366 ± 0.005° |
| Cell volume | 3546.9 ± 0.4 Å3 |
| Cell temperature | 110.05 ± 0.1 K |
| Ambient diffraction temperature | 110.05 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0922 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176035 (current) | 2016-02-05 | cif/ Updating files of 7037771, 7037772, 7037773, 7037774, 7037775, 7037776, 7037777, 7037778 Original log message: Adding full bibliography for 7037771--7037778.cif. |
7037778.cif |
| 171742 | 2015-12-25 | cif/ Adding structures of 7037771, 7037772, 7037773, 7037774, 7037775, 7037776, 7037777, 7037778 via cif-deposit CGI script. |
7037778.cif |
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Users of the data should acknowledge the original authors of the
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