Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4126718
Preview
Coordinates | 4126718.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | FeCl3(PMe2Ph)2 |
---|---|
Formula | C16 H22 Cl3 Fe P2 |
Calculated formula | C16 H22 Cl3 Fe P2 |
SMILES | C[P](C)(c1ccccc1)[Fe]([P](C)(C)c1ccccc1)(Cl)(Cl)Cl |
Title of publication | Slow Magnetic Relaxation in Intermediate Spin S = 3/2 Mononuclear Fe(III) Complexes. |
Authors of publication | Feng, Xiaowen; Hwang, Seung Jun; Liu, Jun-Liang; Chen, Yan-Cong; Tong, Ming-Liang; Nocera, Daniel G. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
a | 16.7477 ± 0.0017 Å |
b | 8.6634 ± 0.001 Å |
c | 14.603 ± 0.0016 Å |
α | 90° |
β | 108.678 ± 0.002° |
γ | 90° |
Cell volume | 2007.2 ± 0.4 Å3 |
Cell temperature | 20 ± 2 K |
Ambient diffraction temperature | 20 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0502 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.1171 |
Weighted residual factors for all reflections included in the refinement | 0.1227 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.41328 Å |
Diffraction radiation type | synchrotron |
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/4126718.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.