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Information card for entry 7035867
Preview
Coordinates | 7035867.cif |
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Original paper (by DOI) | HTML |
Formula | C57 H70 F N4 P2 Ru |
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Calculated formula | C57 H70 F N4 P2 Ru |
Title of publication | Stoichiometric and catalytic C-F bond activation by the trans-dihydride NHC complex [Ru(IEt2Me2)2(PPh3)2H2] (IEt2Me2 = 1,3-diethyl-4,5-dimethylimidazol-2-ylidene). |
Authors of publication | Cybulski, Mateusz K.; Riddlestone, Ian M.; Mahon, Mary F.; Woodman, Timothy J.; Whittlesey, Michael K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 45 |
Pages of publication | 19597 - 19605 |
a | 16.74 ± 0.0001 Å |
b | 16.555 ± 0.0001 Å |
c | 19.476 ± 0.0001 Å |
α | 90° |
β | 109.727 ± 0.001° |
γ | 90° |
Cell volume | 5080.63 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0582 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0767 |
Weighted residual factors for all reflections included in the refinement | 0.0851 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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