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Information card for entry 4074680
Preview
Coordinates | 4074680.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C94 H64 F4 O6 P4 Ru2 |
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Calculated formula | C94 H64 F4 O6 P4 Ru2 |
SMILES | [Ru]12([Ru]3([P](c4ccccc4)(c4ccccc4)c4ccc5ccccc5c4c4c5ccccc5ccc4[P]3(c3ccccc3)c3ccccc3)([O]=C(O2)C(F)(F)C(F)(F)C(=O)[O-])C#[O])([P](c2ccccc2)(c2ccccc2)c2ccc3ccccc3c2c2c3ccccc3ccc2[P]1(c1ccccc1)c1ccccc1)C#[O] |
Title of publication | Dinuclear Ruthenium Complexes Bearing Dicarboxylate and Phosphine Ligands. Acceptorless Catalytic Dehydrogenation of 1-Phenylethanol |
Authors of publication | van Buijtenen, Jeroen; Meuldijk, Jan; Vekemans, Jef A. J. M.; Hulshof, Lumbertus A.; Kooijman, Huub; Spek, Anthony L. |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 4 |
Pages of publication | 873 |
a | 20.4988 ± 0.0012 Å |
b | 20.8765 ± 0.0012 Å |
c | 25.2786 ± 0.0015 Å |
α | 66.336 ± 0.018° |
β | 67.039 ± 0.018° |
γ | 84.82 ± 0.018° |
Cell volume | 9095 ± 2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1332 |
Residual factor for significantly intense reflections | 0.0725 |
Weighted residual factors for significantly intense reflections | 0.1724 |
Weighted residual factors for all reflections included in the refinement | 0.1924 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4074680.html
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structural data.