Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036736
Preview
Coordinates | 7036736.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H10 Fe2 O6 Se2 |
---|---|
Calculated formula | C11 H10 Fe2 O6 Se2 |
Title of publication | Steric effect of the dithiolato linker on the reduction mechanism of [Fe2(CO)6{μ-(XCH2)2CRR'}] hydrogenase models (X = S, Se). |
Authors of publication | Trautwein, Ralf; Almazahreh, Laith R.; Görls, Helmar; Weigand, Wolfgang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 43 |
Pages of publication | 18780 - 18794 |
a | 9.1208 ± 0.0004 Å |
b | 10.1728 ± 0.0005 Å |
c | 51.123 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4743.4 ± 0.4 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0698 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.227 |
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/7036736.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.