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Information card for entry 4068880
Preview
Coordinates | 4068880.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H26 F6 Ir N4 O P |
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Calculated formula | C22 H26 F6 Ir N4 O P |
SMILES | [IrH2]12(C#[O])[n]3c(C[N]2(Cc2nc(ccc2)C)Cc2[n]1c(ccc2)C)cccc3C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Activation of Carbon Monoxide by (Me3tpa)Rh and (Me3tpa)Ir |
Authors of publication | Dzik, Wojciech I.; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 6 |
Pages of publication | 1631 |
a | 10.9728 ± 0.0007 Å |
b | 11.6245 ± 0.001 Å |
c | 11.7703 ± 0.001 Å |
α | 109.29 ± 0.006° |
β | 110.719 ± 0.005° |
γ | 101.645 ± 0.005° |
Cell volume | 1236 ± 0.2 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 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 | 0.0269 |
Residual factor for significantly intense reflections | 0.0228 |
Weighted residual factors for all reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.056 |
Weighted residual factors for all reflections included in the refinement | 0.0578 |
Goodness-of-fit parameter for all reflections | 1.181 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
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/4068880.html
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Users of the data should acknowledge the original authors of the
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