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Information card for entry 4070163
Preview
Coordinates | 4070163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H32 Cl3 F3 N2 O3 Ru S |
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Calculated formula | C29 H32 Cl3 F3 N2 O3 Ru S |
SMILES | [Ru]123456(N(c7c(cccc7C)C)C(=CC(=[N]1c1c(cccc1C)C)C)C)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.S(=O)(=O)([O-])C(F)(F)F.C(Cl)(Cl)Cl |
Title of publication | Influence of Ion Pairing on Styrene Hydrogenation Using a Cationic η6-Arene β-Diketiminato−Ruthenium Complex |
Authors of publication | Moreno, Aitor; Pregosin, Paul S.; Laurenczy, Gábor; Phillips, Andrew D.; Dyson, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 22 |
Pages of publication | 6432 |
a | 11.6147 ± 0.0003 Å |
b | 12.3562 ± 0.0005 Å |
c | 12.6842 ± 0.0005 Å |
α | 111.743 ± 0.004° |
β | 95.986 ± 0.003° |
γ | 105.286 ± 0.003° |
Cell volume | 1589.06 ± 0.12 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.052 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0975 |
Weighted residual factors for all reflections included in the refinement | 0.102 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4070163.html
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Users of the data should acknowledge the original authors of the
structural data.