Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7115453
Preview
Coordinates | 7115453.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H39 B Cl2 F24 Fe2 O6 P2 S2 |
---|---|
Calculated formula | C48 H39 B Cl2 F24 Fe2 O6 P2 S2 |
Title of publication | The influence of a S-to-S bridge in diiron dithiolate models on the oxidation reaction: a mimic of the Hairox state of [FeFe]-hydrogenases |
Authors of publication | Dehua Zheng; Mei Wang; Lin Chen; Ning Wang; Minglun Cheng; Licheng Sun |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 9255 |
a | 12.6932 ± 0.0008 Å |
b | 18.5417 ± 0.0014 Å |
c | 25.8275 ± 0.0018 Å |
α | 90° |
β | 91.44 ± 0.004° |
γ | 90° |
Cell volume | 6076.7 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 9 |
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 | 0.1663 |
Residual factor for significantly intense reflections | 0.1011 |
Weighted residual factors for significantly intense reflections | 0.2492 |
Weighted residual factors for all reflections included in the refinement | 0.2701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
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/7115453.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.