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Information card for entry 4065377
Preview
Coordinates | 4065377.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H30 B Br F4 Ir N3 O |
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Calculated formula | C22 H30 B Br F4 Ir N3 O |
SMILES | [IrH]123(Br)(=C4N(C=CN4C)Cc4ccccc4OC)([CH]4=[CH]1CC[CH]3=[CH]2CC4)[N]#CC.[B](F)(F)(F)[F-] |
Title of publication | Iridium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient and Versatile Transfer Hydrogenation Catalysts |
Authors of publication | Jiménez, M. Victoria; Fernández-Tornos, Javier; Pérez-Torrente, Jesús J.; Modrego, Francisco J.; Winterle, Sonja; Cunchillos, Carmen; Lahoz, Fernando J.; Oro, Luis A. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 20 |
Pages of publication | 5493 |
a | 14.611 ± 0.003 Å |
b | 7.7625 ± 0.0016 Å |
c | 21.751 ± 0.005 Å |
α | 90° |
β | 96.143 ± 0.003° |
γ | 90° |
Cell volume | 2452.8 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0278 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for significantly intense reflections | 0.0558 |
Weighted residual factors for all reflections included in the refinement | 0.0564 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/4065377.html
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