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Information card for entry 4065364
Preview
Coordinates | 4065364.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H62 B Cl4 F4 Ir O3 P4 Ru |
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Calculated formula | C64 H62 B Cl4 F4 Ir O3 P4 Ru |
SMILES | [Ir]12([C]3#[C](C)[Ru]3([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O]))(C#[O])C(=C(C)\C)\CC.[B](F)(F)(F)[F-].ClCCl.ClCCl |
Title of publication | Facile Carbon‒Carbon Bond Formation and Multiple Carbon‒Hydrogen Bond Activations Promoted by Methylene-Bridged Iridium/Ruthenium Complexes |
Authors of publication | MacDougall, Tiffany J.; Trepanier, Steven J.; Dutton, Jason L.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 5882 |
a | 12.4286 ± 0.0006 Å |
b | 15.0216 ± 0.0007 Å |
c | 18.6676 ± 0.0008 Å |
α | 95.2809 ± 0.0005° |
β | 100.156 ± 0.0005° |
γ | 112.256 ± 0.0005° |
Cell volume | 3126.4 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0373 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.0964 |
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/4065364.html
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Users of the data should acknowledge the original authors of the
structural data.