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Information card for entry 4084875
Preview
| Coordinates | 4084875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H60 Cl2 P4 Ru |
|---|---|
| Calculated formula | C72 H60 Cl2 P4 Ru |
| SMILES | [Ru](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation |
| Authors of publication | Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 24 |
| Pages of publication | 7279 |
| a | 13.122 ± 0.002 Å |
| b | 14.106 ± 0.003 Å |
| c | 17.813 ± 0.004 Å |
| α | 68.395 ± 0.005° |
| β | 89.802 ± 0.006° |
| γ | 70.952 ± 0.005° |
| Cell volume | 2872 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0655 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178737 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/48. |
4084875.cif |
| 131446 | 2015-02-07 | cif/ Updating files of 4084867, 4084868, 4084869, 4084870, 4084871, 4084872, 4084873, 4084874, 4084875 Original log message: Adding full bibliography for 4084867--4084875.cif. |
4084875.cif |
| 128431 | 2014-12-06 | cif/ Adding structures of 4084867, 4084868, 4084869, 4084870, 4084871, 4084872, 4084873, 4084874, 4084875 via cif-deposit CGI script. |
4084875.cif |
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Users of the data should acknowledge the original authors of the
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