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Information card for entry 4105494
Preview
Coordinates | 4105494.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H47 F6 O1.5 P2 Ru |
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Calculated formula | C47 H47 F6 O1.5 P2 Ru |
SMILES | [Ru]1234567([P](c8ccccc8)(c8ccccc8)c8ccccc8)([CH2]=[C]81C(OCC=C)C(C[C]28=[CH2]3)(c1ccccc1)c1ccccc1)[cH]1[cH]7[cH]6[cH]5[cH]41.[P](F)(F)(F)(F)(F)[F-].O(CC)CC |
Title of publication | Reactions of Ruthenium Cp Phosphine Complex with 4,4-Disubstituted-1,6-Enynes: Effect of Methyl Substituents in the Olefinic Fraction |
Authors of publication | Chia-Pei Chung; Chien-Chih Chen; Ying-Chih Lin; Yi-Hong Liu; Yu Wang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 18366 - 18375 |
a | 13.9207 ± 0.0003 Å |
b | 13.9477 ± 0.0004 Å |
c | 22.7647 ± 0.0007 Å |
α | 85.489 ± 0.002° |
β | 75.201 ± 0.002° |
γ | 82.549 ± 0.002° |
Cell volume | 4232.5 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1066 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.1219 |
Weighted residual factors for all reflections included in the refinement | 0.1385 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
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/4105494.html
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