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Information card for entry 4068885
Preview
Coordinates | 4068885.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H28 F6 Ir N4 O3 P |
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Calculated formula | C24 H27 F6 Ir N4 O3 P |
SMILES | [Ir]12(C#[O])(C(=O)OC)[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 | 9.1502 ± 0.0001 Å |
b | 11.1785 ± 0.0006 Å |
c | 13.8428 ± 0.0005 Å |
α | 77.101 ± 0.006° |
β | 84.419 ± 0.003° |
γ | 82.292 ± 0.002° |
Cell volume | 1364.39 ± 0.1 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 | 0.0322 |
Residual factor for significantly intense reflections | 0.0255 |
Weighted residual factors for all reflections | 0.0757 |
Weighted residual factors for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections | 1.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
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/4068885.html
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Users of the data should acknowledge the original authors of the
structural data.