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Information card for entry 4065266
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Coordinates | 4065266.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (η^2^-dioxygen)-{κ^2^ C,N-3-isopropyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-(η^5^-pentamethylcyclopentadienyl)-ruthenium(II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate dichloromethane diethylether solvates |
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Formula | C56.32 H47.53 B Cl1.12 F24 N3 O2.44 Ru |
Calculated formula | C56.323 H47.528 B Cl1.118 F24 N3 O2.4402 Ru |
Title of publication | Half-Sandwich Ruthenium(II) Picolyl-NHC Complexes: Synthesis, Characterization, and Catalytic Activity in Transfer Hydrogenation Reactions |
Authors of publication | Fernández, Francys E.; Puerta, M. Carmen; Valerga, Pedro |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5793 |
a | 12.498 ± 0.003 Å |
b | 17.896 ± 0.004 Å |
c | 26.458 ± 0.005 Å |
α | 90° |
β | 90.67 ± 0.03° |
γ | 90° |
Cell volume | 5917 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1196 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065266.html
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