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Information card for entry 4067495
Preview
Coordinates | 4067495.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H26 Cl F6 P Pd Ru S2 |
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Calculated formula | C19 H26 Cl F6 P Pd Ru S2 |
SMILES | [Pd]12(Cl)[S](C[c]34[cH]5[Ru]6789%10%11%123([c]24[c]8([cH]7[cH]56)C[S]1C(C)C)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)C(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Bimetallic η6,η1SCS- and PCP-Pincer Ruthenium Palladium Complexes: Synthesis, Structure, and Catalytic Activity |
Authors of publication | Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M. |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 5 |
Pages of publication | 1157 |
a | 14.86958 ± 0.00011 Å |
b | 12.21797 ± 0.00012 Å |
c | 25.8649 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4699.03 ± 0.08 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0213 |
Residual factor for significantly intense reflections | 0.0169 |
Weighted residual factors for significantly intense reflections | 0.0367 |
Weighted residual factors for all reflections included in the refinement | 0.0382 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/4067495.html
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Users of the data should acknowledge the original authors of the
structural data.