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Information card for entry 1548955
Preview
| Coordinates | 1548955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H56 Cu F6 N2 O P3 |
|---|---|
| Calculated formula | C41 H56 Cu F6 N2 O P3 |
| SMILES | [Cu]123([P](C(C)(C)C)(c4c5[O]1c1c([P]2(C(C)(C)C)C(C)(C)C)cccc1C(c5ccc4)(C)C)C(C)(C)C)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Copper(i) and silver(i) complexes of 9,9-dimethyl-4,5-bis(di-tert-butylphosphino)xanthene: photophysical properties and structural rigidity under pressure. |
| Authors of publication | Keller, Sarah; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. |
| Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
| Year of publication | 2018 |
| Journal volume | 17 |
| Journal issue | 4 |
| Pages of publication | 375 - 385 |
| a | 12.2247 ± 0.001 Å |
| b | 15.0283 ± 0.0012 Å |
| c | 22.5879 ± 0.0019 Å |
| α | 90° |
| β | 98.452 ± 0.003° |
| γ | 90° |
| Cell volume | 4104.7 ± 0.6 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for all reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0337 |
| Weighted residual factors for all reflections included in the refinement | 0.0336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0796 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230892 (current) | 2019-11-17 | cif/ Updating files of 1548955, 1548956, 1548957, 1548958, 1548959, 1548960, 1548961, 1548962, 1548963, 1548964, 1548965, 1548966 Original log message: Adding full bibliography for 1548955--1548966.cif. |
1548955.cif |
| 206516 | 2018-02-20 | cif/ Adding structures of 1548955, 1548956, 1548957, 1548958, 1548959, 1548960, 1548961, 1548962, 1548963, 1548964, 1548965, 1548966 via cif-deposit CGI script. |
1548955.cif |
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