Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063821
Preview
Coordinates | 4063821.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H39 Cr N2 O |
---|---|
Calculated formula | C30 H39 Cr N2 O |
SMILES | CC1=CC(C)=[N](c2ccc(cc2)OC)[Cr]2345(C)([cH]6[cH]5[cH]4[cH]3[cH]26)N1c1c(cccc1C(C)C)C(C)C |
Title of publication | Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes |
Authors of publication | Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 3 |
Pages of publication | 603 |
a | 9.3251 ± 0.0002 Å |
b | 9.8141 ± 0.0003 Å |
c | 14.6976 ± 0.0004 Å |
α | 80.786 ± 0.001° |
β | 82.742 ± 0.001° |
γ | 86.455 ± 0.001° |
Cell volume | 1315.9 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0386 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Weighted residual factors for all reflections included in the refinement | 0.0818 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/4063821.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.