Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4120726
Preview
Coordinates | 4120726.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1i |
---|---|
Formula | C31 H32 N2 O2 Rh |
Calculated formula | C31 H32 N2 O2 Rh |
Title of publication | Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage |
Authors of publication | Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 13149 - 13161 |
a | 9.665 ± 0.003 Å |
b | 10.146 ± 0.004 Å |
c | 14.632 ± 0.005 Å |
α | 84.36 ± 0.012° |
β | 70.971 ± 0.011° |
γ | 64.851 ± 0.009° |
Cell volume | 1226.5 ± 0.8 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0817 |
Residual factor for significantly intense reflections | 0.0713 |
Weighted residual factors for significantly intense reflections | 0.2087 |
Weighted residual factors for all reflections included in the refinement | 0.2445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.221 |
Diffraction radiation wavelength | 0.71075 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/4120726.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.