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Information card for entry 4068883
Preview
Coordinates | 4068883.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H36 F6 Ir N4 P |
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Calculated formula | C29 H36 F6 Ir N4 P |
SMILES | [Ir]12345([CH]6=[CH]1CC[CH]2=[CH]3CC6)[n]1c(C[N]5(Cc2[n]4c(ccc2)C)Cc2nc(ccc2)C)cccc1C.[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 | 8.5161 ± 0.0005 Å |
b | 18.9926 ± 0.0016 Å |
c | 18.2925 ± 0.0017 Å |
α | 90° |
β | 100.487 ± 0.008° |
γ | 90° |
Cell volume | 2909.3 ± 0.4 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0264 |
Weighted residual factors for all reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.0441 |
Weighted residual factors for all reflections included in the refinement | 0.0472 |
Goodness-of-fit parameter for all reflections | 1.139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
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/4068883.html
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Users of the data should acknowledge the original authors of the
structural data.