Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005434
Preview
Coordinates | 7005434.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 040031 |
---|---|
Formula | C26 H27 Cl2 Fe N3 O |
Calculated formula | C26 H27 Cl2 Fe N3 O |
SMILES | [Fe]12(Cl)(Cl)[N](=C3C(=[N]1c1c(cccc1C)C)c1cccc4cccc3c14)CC[N]12CCOCC1 |
Title of publication | Alternatives to pyridinediimine ligands: syntheses and structures of metal complexes supported by donor-modified alpha-diimine ligands. |
Authors of publication | Schmiege, Benjamin M.; Carney, Michael J.; Small, Brooke L.; Gerlach, Deidra L.; Halfen, Jason A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 24 |
Pages of publication | 2547 - 2562 |
a | 12.309 ± 0.001 Å |
b | 14.355 ± 0.003 Å |
c | 14.553 ± 0.002 Å |
α | 89.42 ± 0.02° |
β | 77.51 ± 0.01° |
γ | 77.48 ± 0.01° |
Cell volume | 2449.1 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1247 |
Residual factor for significantly intense reflections | 0.068 |
Weighted residual factors for significantly intense reflections | 0.146 |
Weighted residual factors for all reflections included in the refinement | 0.173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
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/7005434.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.