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Information card for entry 2312334
Preview
| Coordinates | 2312334.cif |
|---|---|
| Structure factors | 2312334.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chlorido[tris(pyridin-2-yl)amine-κ^2^<i>N</i>,<i>N</i>'][tris(pyridin-2-yl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']ruthenium(II) hexafluoridoantimonate chloroform monosolvate |
|---|---|
| Formula | C31 H25 Cl4 F6 N8 Ru Sb |
| Calculated formula | C31 H25 Cl4 F6 N8 Ru Sb |
| SMILES | [Sb](F)(F)(F)(F)(F)[F-].[Ru]123(Cl)([n]4ccccc4N(c4[n]1cccc4)c1[n]2cccc1)[n]1ccccc1N(c1[n]3cccc1)c1ncccc1.ClC(Cl)Cl |
| 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 | 8.3209 ± 0.0003 Å |
| b | 27.3213 ± 0.001 Å |
| c | 15.7839 ± 0.0006 Å |
| α | 90° |
| β | 99.554 ± 0.004° |
| γ | 90° |
| Cell volume | 3538.5 ± 0.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93.15 K |
| Number of distinct elements | 7 |
| 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 | 0.0829 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0812 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| 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. |
2312334.cif 2312334.hkl |
| 287456 | 2023-11-07 | cif/ hkl/ Adding structures of 2312333, 2312334 via cif-deposit CGI script. |
2312334.cif 2312334.hkl |
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Users of the data should acknowledge the original authors of the
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