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Information card for entry 4072857
Preview
Coordinates | 4072857.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30.5 H33 Cl F6 O P2 Ru |
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Calculated formula | C30.5 H33 Cl F6 O P2 Ru |
SMILES | [Ru]12345([cH]6[cH]4[cH]3[cH]2[cH]16)([CH](CC)=[CH]5CC)(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis of Cp‘Ru(CO)(L)(η2-olefin)+Complexes and Kinetic Studies of Olefin Substitution |
Authors of publication | McWilliams, Kevin M.; Ellern, Arkady; Angelici, Robert J. |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 7 |
Pages of publication | 1665 |
a | 9.522 ± 0.002 Å |
b | 17.427 ± 0.004 Å |
c | 19.654 ± 0.004 Å |
α | 83.043 ± 0.004° |
β | 83.922 ± 0.004° |
γ | 78.551 ± 0.003° |
Cell volume | 3161.7 ± 1.2 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0925 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1529 |
Weighted residual factors for all reflections included in the refinement | 0.1741 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4072857.html
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Users of the data should acknowledge the original authors of the
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