Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081147
Preview
Coordinates | 4081147.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(Fc-NHC)2Ir(CO)2][Ir(CO2)Cl2] |
---|---|
Formula | C50 H48 Cl2 Fe2 Ir2 N4 O4 |
Calculated formula | C50 H48 Cl2 Fe2 Ir2 N4 O4 |
SMILES | C1(N(C=CN1C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)c1c(cc(cc1C)C)C)=[Ir](=C1N(C=CN1c1c(cc(cc1C)C)C)C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)(C#[O])C#[O].C(#[O])[Ir](C#[O])(Cl)Cl |
Title of publication | Cationic Iridium Complexes Containing Anionic Iridium Counterions Supported by Redox-Active N-Heterocyclic Carbenes |
Authors of publication | Arumugam, Kuppuswamy; Chang, Jinho; Lynch, Vincent M.; Bielawski, Christopher W. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4334 |
a | 16.027 ± 0.013 Å |
b | 16.749 ± 0.013 Å |
c | 19.181 ± 0.015 Å |
α | 90° |
β | 105.491 ± 0.002° |
γ | 90° |
Cell volume | 4962 ± 7 Å3 |
Cell temperature | 233 ± 2 K |
Ambient diffraction temperature | 233 ± 2 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0445 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.0824 |
Weighted residual factors for all reflections included in the refinement | 0.085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71069 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/4081147.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.