Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063819
Preview
Coordinates | 4063819.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H36 Cr I N2 O |
---|---|
Calculated formula | C29 H36 Cr I N2 O |
SMILES | CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(N1c1ccc(cc1)OC)I |
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 | 11.7438 ± 0.0011 Å |
b | 16.9018 ± 0.0014 Å |
c | 14.9717 ± 0.0013 Å |
α | 90° |
β | 110.53 ± 0.004° |
γ | 90° |
Cell volume | 2783 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0321 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0648 |
Weighted residual factors for all reflections included in the refinement | 0.0712 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.792 |
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/4063819.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.