Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087905
Preview
Coordinates | 4087905.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C83 H84 B F24 N6 O6 Rh |
---|---|
Calculated formula | C83 H84 B F24 N6 O6 Rh |
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 | 21.8658 ± 0.0004 Å |
b | 14.75921 ± 0.00019 Å |
c | 26.5909 ± 0.0004 Å |
α | 90° |
β | 110.69 ± 0.0017° |
γ | 90° |
Cell volume | 8028 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0712 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1371 |
Weighted residual factors for all reflections included in the refinement | 0.1507 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
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/4087905.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.