Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4307505
Preview
Coordinates | 4307505.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H27 Cl Fe N3 O5 |
---|---|
Calculated formula | C18 H27 Cl Fe N3 O5 |
Title of publication | Iron Complexes of New Pentadentate Ligands Containing the 1,4,7-Triazacyclononane-1,4-diacetate Motif. Spectroscopic, Electro-, and Photochemical Studies |
Authors of publication | Yu-Fei Song; John F. Berry; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt |
Journal of publication | Inorganic Chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Pages of publication | 2208 - 2219 |
a | 8.3266 ± 0.0006 Å |
b | 13.0757 ± 0.0009 Å |
c | 19.1902 ± 0.0012 Å |
α | 73.25 ± 0.01° |
β | 89.24 ± 0.01° |
γ | 88.9 ± 0.01° |
Cell volume | 2000.3 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0503 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.0927 |
Weighted residual factors for all reflections included in the refinement | 0.097 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4307505.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.