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Information card for entry 1519677
Preview
| Coordinates | 1519677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C99 H78 B6 F24 N24 Ru3 |
|---|---|
| Calculated formula | C99 H78 B6 F23.97 N24 Ru3 |
| SMILES | [Ru]123([n]4ccccc4c4[n]1ccc(c4)c1nc(nc(n1)c1cc4[n]([Ru]56([n]7ccccc47)([n]4ccccc4c4[n]5cccc4)[n]4ccccc4c4[n]6cccc4)cc1)c1cc4[n]([Ru]56([n]7c4cccc7)([n]4c(cccc4)c4[n]5cccc4)[n]4c(cccc4)c4[n]6cccc4)cc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC.N#CC.N#CC |
| Title of publication | A family of Ru(ii) complexes built on a novel sexipyridine building block: synthesis, photophysical properties and the rare structural characterization of a triruthenium species. |
| Authors of publication | Laramée-Milette, Baptiste; Lussier, Félix; Ciofini, Ilaria; Hanan, Garry S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 25 |
| Pages of publication | 11551 - 11561 |
| a | 22.8909 ± 0.0007 Å |
| b | 13.6566 ± 0.0004 Å |
| c | 35.3984 ± 0.0012 Å |
| α | 90° |
| β | 91.874 ± 0.002° |
| γ | 90° |
| Cell volume | 11060 ± 0.6 Å3 |
| Cell temperature | 100 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 | 0.1023 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.2023 |
| Weighted residual factors for all reflections included in the refinement | 0.2174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 143565 (current) | 2015-07-11 | cif/ Updating files of 1519676, 1519677 Original log message: Adding full bibliography for 1519676--1519677.cif. |
1519677.cif |
| 136646 | 2015-05-16 | cif/ Adding structures of 1519676, 1519677 via cif-deposit CGI script. |
1519677.cif |
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Users of the data should acknowledge the original authors of the
structural data.