Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7019303
Preview
Coordinates | 7019303.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H29 Cl Cr N2 |
---|---|
Calculated formula | C25 H29 Cl Cr N2 |
SMILES | CC1C(C)=[N](c2c(cccc2C)C)[Cr]2345([cH]6[cH]5[cH]4[cH]3[cH]26)([N]=1c1c(cccc1C)C)Cl |
Title of publication | Cyclopentadienyl chromium diimine and pyridine-imine complexes: ligand-based radicals and metal-based redox chemistry. |
Authors of publication | Zhou, Wen; Chiang, Linus; Patrick, Brian O.; Storr, Tim; Smith, Kevin M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 26 |
Pages of publication | 7920 - 7930 |
a | 8.151 ± 0.0004 Å |
b | 13.9425 ± 0.0007 Å |
c | 19.9028 ± 0.001 Å |
α | 90° |
β | 94.522 ± 0.003° |
γ | 90° |
Cell volume | 2254.82 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0964 |
Residual factor for significantly intense reflections | 0.0697 |
Weighted residual factors for significantly intense reflections | 0.1613 |
Weighted residual factors for all reflections included in the refinement | 0.1714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/7019303.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.