Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075185
Preview
Coordinates | 4075185.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H30 Cl Ir N2 |
---|---|
Calculated formula | C27 H30 Cl Ir N2 |
SMILES | [Ir]123(Cl)(=C4N5CCc6c([C@H]5[C@H]5N4CCc4c5cccc4)cccc6)[CH]4=[CH]1CC[CH]2=[CH]3CC4 |
Title of publication | Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis† |
Authors of publication | Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 10 |
Pages of publication | 2449 |
a | 7.8469 ± 0.0001 Å |
b | 14.3361 ± 0.0001 Å |
c | 19.9183 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2240.69 ± 0.03 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0326 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0646 |
Weighted residual factors for all reflections included in the refinement | 0.0652 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
Diffraction radiation wavelength | 0.71073 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/4075185.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.