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Information card for entry 2312527
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| Coordinates | 2312527.cif |
|---|---|
| Structure factors | 2312527.hkl |
| Original IUCr paper | HTML |
| Chemical name | Carbonylhydrido(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>)bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) hexafluoridophosphate |
|---|---|
| Formula | C49 H39 F6 N2 O P3 Ru |
| Calculated formula | C49 H39 F6 N2 O P3 Ru |
| SMILES | c1ccc2ccc3ccc[n]4c3c2[n]1[RuH]4(C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Synthesis and structural characterizations of three carbonyl(α-diimine)hydrido(triphenylphosphine)ruthenium(II) complexes with derivatives of 1,10-phenanthroline. |
| Authors of publication | Wysocki, Waldemar; Kamecka, Anna; Karczmarzyk, Zbigniew |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 7 |
| Pages of publication | 319 - 330 |
| a | 10.5442 ± 0.0006 Å |
| b | 21.1741 ± 0.0013 Å |
| c | 21.9326 ± 0.0013 Å |
| α | 90° |
| β | 97.528 ± 0.005° |
| γ | 90° |
| Cell volume | 4854.6 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.1197 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293980 (current) | 2024-08-07 | cif/ Updating files of 2312527, 2312528, 2312529 Original log message: Adding full bibliography for 2312527--2312529.cif. |
2312527.cif 2312527.hkl |
| 292633 | 2024-06-28 | cif/ hkl/ Adding structures of 2312527, 2312528, 2312529 via cif-deposit CGI script. |
2312527.cif 2312527.hkl |
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Users of the data should acknowledge the original authors of the
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