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Information card for entry 2312333
Preview
| Coordinates | 2312333.cif |
|---|---|
| Structure factors | 2312333.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis[tris(pyridin-2-yl)amine-κ^2^<i>N</i>,<i>N</i>']ruthenium(II) dichloromethane disolvate |
|---|---|
| Formula | C32 H28 Cl6 N8 Ru |
| Calculated formula | C32 H28 Cl6 N8 Ru |
| SMILES | [Ru]12(Cl)(Cl)([n]3ccccc3N(c3ncccc3)c3[n]1cccc3)[n]1ccccc1N(c1[n]2cccc1)c1ncccc1.ClCCl.ClCCl |
| Title of publication | Studies of κ<sup>2</sup>- and κ<sup>3</sup>-tripyridylamine complexes of ruthenium and π-stacking by pyridyls. |
| Authors of publication | Faller, Jack; Chase, Kevin J.; Parr, Jonathan; Mercado, Brandon |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 12 |
| Pages of publication | 491 - 496 |
| a | 11.2435 ± 0.0007 Å |
| b | 11.4038 ± 0.0007 Å |
| c | 13.634 ± 0.0007 Å |
| α | 74.278 ± 0.005° |
| β | 75.995 ± 0.005° |
| γ | 84.642 ± 0.005° |
| Cell volume | 1631.99 ± 0.17 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1097 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.1079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288934 (current) | 2024-01-07 | cif/ Updating files of 2312333, 2312334 Original log message: Adding full bibliography for 2312333--2312334.cif. |
2312333.cif 2312333.hkl |
| 287456 | 2023-11-07 | cif/ hkl/ Adding structures of 2312333, 2312334 via cif-deposit CGI script. |
2312333.cif 2312333.hkl |
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Users of the data should acknowledge the original authors of the
structural data.