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Information card for entry 1542334
Preview
| Coordinates | 1542334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Ru(Phen)2(DPPZ)]2PF6 |
|---|---|
| Formula | C47.5 H34.25 F12 N10.75 P2 Ru |
| Calculated formula | C47.5 H34.25 F12 N10.75 P2 Ru |
| SMILES | [Ru]123([n]4cccc5c6nc7ccccc7nc6c6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC |
| Title of publication | Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+light-switch compound in solution and when bound to DNA |
| Authors of publication | Poynton, Fergus E.; Hall, James P.; Keane, Páraic M.; Schwarz, Christine; Sazanovich, Igor V.; Towrie, Michael; Gunnlaugsson, Thorfinnur; Cardin, Christine J.; Cardin, David J.; Quinn, Susan J.; Long, Conor; Kelly, John M. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 3075 |
| a | 20.7004 ± 0.0008 Å |
| b | 32.7257 ± 0.0012 Å |
| c | 14.3246 ± 0.0005 Å |
| α | 90° |
| β | 107.689 ± 0.001° |
| γ | 90° |
| Cell volume | 9245.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217275 (current) | 2019-07-26 | cif/1 Fixing Z values and formulae |
1542334.cif |
| 182620 | 2016-05-06 | cif/ Updating files of 1542334 Original log message: Adding full bibliography for 1542334.cif. |
1542334.cif |
| 175194 | 2016-01-28 | cif/ Adding structures of 1542334 via cif-deposit CGI script. |
1542334.cif |
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