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Information card for entry 1519676
Preview
| Coordinates | 1519676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H21 N9 |
|---|---|
| Calculated formula | C33 H21 N9 |
| SMILES | n1c(nc(nc1c1ccnc(c2ncccc2)c1)c1cc(c2ncccc2)ncc1)c1cc(c2ncccc2)ncc1 |
| 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 | 8.3311 ± 0.0001 Å |
| b | 19.4283 ± 0.0002 Å |
| c | 16.2362 ± 0.0002 Å |
| α | 90° |
| β | 103.855 ± 0.001° |
| γ | 90° |
| Cell volume | 2551.52 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519676.cif |
| 143565 | 2015-07-11 | cif/ Updating files of 1519676, 1519677 Original log message: Adding full bibliography for 1519676--1519677.cif. |
1519676.cif |
| 136646 | 2015-05-16 | cif/ Adding structures of 1519676, 1519677 via cif-deposit CGI script. |
1519676.cif |
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Users of the data should acknowledge the original authors of the
structural data.