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Information card for entry 4081897
Preview
Coordinates | 4081897.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H55 F6 O P3 Ru |
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Calculated formula | C55 H55 F6 O P3 Ru |
SMILES | [Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)(=C=C(C5CC(=C)COCC5(C)C)CC=C)[cH]5[cH]4[cH]3[cH]2[cH]15.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Tandem Cyclization of Enynes Containing a Thioether or Ether Linkage via Ruthenium Allenylidene and Vinylidene Complexes |
Authors of publication | Feng, Yi-Jhen; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Wang, Yu; Liu, Yi-Hung |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6379 |
a | 12.86 ± 0.0003 Å |
b | 18.1133 ± 0.0004 Å |
c | 21.1609 ± 0.0005 Å |
α | 90° |
β | 99.838 ± 0.002° |
γ | 90° |
Cell volume | 4856.7 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1148 |
Weighted residual factors for all reflections included in the refinement | 0.1342 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4081897.html
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Users of the data should acknowledge the original authors of the
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