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Information card for entry 1548959
Preview
| Coordinates | 1548959.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)(C(C)(C)C)c4c5[O]1c1c([P]2(C(C)(C)C)C(C)(C)C)cccc1C(C)(C)c5ccc4)[n]1ccccc1c1[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 | 11.962 ± 0.009 Å |
| b | 14.7798 ± 0.0009 Å |
| c | 22.07 ± 0.002 Å |
| α | 90° |
| β | 98.83 ± 0.02° |
| γ | 90° |
| Cell volume | 3856 ± 3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Ambient diffracton pressure | 700000 kPa |
| 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 | 0.1084 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections | 0.1138 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.4859 Å |
| Diffraction radiation type | Synchrotron |
| 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. |
1548959.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. |
1548959.cif |
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Users of the data should acknowledge the original authors of the
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