Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087866
Preview
Coordinates | 4087866.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H80 B Cl F24 Ir2 N8 O8 |
---|---|
Calculated formula | C76 H76 B Cl F24 Ir2 N8 O8 |
Title of publication | Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene |
Authors of publication | Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 17 |
Pages of publication | 4419 |
a | 13.50552 ± 0.00017 Å |
b | 22.2205 ± 0.0003 Å |
c | 30.8469 ± 0.0005 Å |
α | 90° |
β | 98.4554 ± 0.0013° |
γ | 90° |
Cell volume | 9156.5 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0617 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0919 |
Weighted residual factors for all reflections included in the refinement | 0.1008 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4087866.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.