Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4332229
Preview
Coordinates | 4332229.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H27 F6 Fe N3 O10 S2 |
---|---|
Calculated formula | C21 H27 F6 Fe N3 O10 S2 |
SMILES | [Fe]123([O]=C(OC)[C@H]4N(Cc5[n]2c(ccc5)C[N]23CCC[C@H]2C(=[O]1)OC)CCC4)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
Title of publication | Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand |
Authors of publication | Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M. |
Journal of publication | Inorganic Chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 10 |
Pages of publication | 4214 - 4227 |
a | 9.0393 ± 0.0006 Å |
b | 13.0683 ± 0.0013 Å |
c | 24.218 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2860.8 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0657 |
Weighted residual factors for all reflections included in the refinement | 0.0732 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4332229.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.