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Information card for entry 4087903
Preview
Coordinates | 4087903.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H52 Cl Ir N4 O4 |
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Calculated formula | C36 H52 Cl Ir N4 O4 |
Title of publication | Rhodium(I) and Iridium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Computational and Experimental Studies of Unusually Tilted NHC Coordination Geometries |
Authors of publication | Luy, Jan-Niclas; Hauser, Simone A.; Chaplin, Adrian B.; Tonner, Ralf |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 20 |
Pages of publication | 5099 |
a | 9.59136 ± 0.00013 Å |
b | 11.07078 ± 0.00016 Å |
c | 17.1694 ± 0.0003 Å |
α | 95.5851 ± 0.0012° |
β | 101.365 ± 0.0012° |
γ | 100.353 ± 0.0012° |
Cell volume | 1741.53 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0171 |
Residual factor for significantly intense reflections | 0.0162 |
Weighted residual factors for significantly intense reflections | 0.0393 |
Weighted residual factors for all reflections included in the refinement | 0.0397 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.145 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4087903.html
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Users of the data should acknowledge the original authors of the
structural data.