Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084249
Preview
Coordinates | 4084249.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [{Fe(CO)~3~}~2~(μ~2~-1,8-SeS-naph)] |
---|---|
Formula | C16 H6 Fe2 O6 S Se |
Calculated formula | C16 H6 Fe2 O6 S Se |
Title of publication | [FeFe]-Hydrogenase Synthetic Mimics Based onPeri-Substituted Dichalcogenides |
Authors of publication | Figliola, Carlotta; Male, Louise; Horton, Peter N.; Pitak, Mateusz B.; Coles, Simon J.; Horswell, Sarah L.; Grainger, Richard S. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 17 |
Pages of publication | 4449 |
a | 7.5023 ± 0.0004 Å |
b | 10.2906 ± 0.0007 Å |
c | 11.6461 ± 0.0006 Å |
α | 99.672 ± 0.005° |
β | 100.494 ± 0.005° |
γ | 91.992 ± 0.005° |
Cell volume | 869.53 ± 0.09 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0539 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1215 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/4084249.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.