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Information card for entry 1548957
Preview
| Coordinates | 1548957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H52 Cu F6 O3 P3 |
|---|---|
| Calculated formula | C31 H52 Cu F6 O3 P3 |
| SMILES | [Cu]12[P](c3cccc4c3[O]2c2c(C4(C)C)cccc2[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].O.O |
| 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 | 10.6543 ± 0.0008 Å |
| b | 11.1834 ± 0.0014 Å |
| c | 15.7615 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1878 ± 0.3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 44 |
| Hermann-Mauguin space group symbol | I 2 m m |
| Hall space group symbol | I -2 2 |
| Residual factor for all reflections | 0.1505 |
| Residual factor for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections | 0.1639 |
| Weighted residual factors for significantly intense reflections | 0.1635 |
| Weighted residual factors for all reflections included in the refinement | 0.1635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1082 |
| 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. |
1548957.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. |
1548957.cif |
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Users of the data should acknowledge the original authors of the
structural data.