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Information card for entry 2202194
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| Coordinates | 2202194.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | tris(triphenylphosphine)copper(I) hexafluorophosphate |
|---|---|
| Formula | C54 H45 Cu F6 P4 |
| Calculated formula | C54 H45 Cu F6 P4 |
| SMILES | [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Tris(triphenylphosphine)copper(I) hexafluorophosphate |
| Authors of publication | Peter C. Healy; John V. Hanna |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 6 |
| Pages of publication | m384 - m386 |
| a | 11.057 ± 0.002 Å |
| b | 12.19 ± 0.0018 Å |
| c | 18.79 ± 0.003 Å |
| α | 88.4 ± 0.8° |
| β | 100.633 ± 0.015° |
| γ | 104.349 ± 0.013° |
| Cell volume | 2411 ± 1 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.088 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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