Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7106030
Preview
Coordinates | 7106030.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H58 B F24 Ir N2 |
---|---|
Calculated formula | C66 H58 B F24 Ir N2 |
Title of publication | Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+ |
Authors of publication | Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 2523 |
a | 12.3412 ± 0.0001 Å |
b | 16.5275 ± 0.0001 Å |
c | 17.7468 ± 0.0001 Å |
α | 113.861 ± 0.0003° |
β | 97.8293 ± 0.0003° |
γ | 92.5917 ± 0.0003° |
Cell volume | 3259.39 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0418 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for all reflections | 0.0989 |
Weighted residual factors for significantly intense reflections | 0.0964 |
Weighted residual factors for all reflections included in the refinement | 0.0988 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9602 |
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/7106030.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.