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Information card for entry 4074952
Preview
Coordinates | 4074952.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H27 Cl F6 N O P Ru |
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Calculated formula | C16 H27 Cl F6 N O P Ru |
SMILES | [Ru]123456([c]7([c]2([c]1([c]4([c]37C)C)C)C)C)([CH](=[CH2]5)C6)(Cl)[O]=CN(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4 |
Authors of publication | Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 6 |
Pages of publication | 1440 - 1447 |
a | 8.5587 ± 0.0009 Å |
b | 14.4403 ± 0.0015 Å |
c | 16.9278 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2092.1 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 8 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0888 |
Residual factor for significantly intense reflections | 0.074 |
Weighted residual factors for significantly intense reflections | 0.1362 |
Weighted residual factors for all reflections included in the refinement | 0.1415 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.192 |
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/4074952.html
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