Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108108
Preview
Coordinates | 4108108.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H80 Fe4 N8 S4 |
---|---|
Calculated formula | C44 H80 Fe4 N8 S4 |
SMILES | [Fe]12345([Fe]6789([Fe]%10%111([Fe]26([S]37)([S]5%10)([S]9%11)=C1N(C(C)C)C(C)=C(C)N1C(C)C)([S]48)=C1N(C(C)C)C(=C(C)N1C(C)C)C)=C1N(C(C)C)C(=C(C)N1C(C)C)C)=C1N(C(C)C)C(=C(C)N1C(C)C)C |
Title of publication | Stabilization of Fully Reduced Iron-Sulfur Clusters by Carbene Ligation: The [FenSn]0 Oxidation Levels (n= 4, 8) |
Authors of publication | Liang Deng; R. H. Holm |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 9878 - 9886 |
a | 14.47 ± 0.002 Å |
b | 20.703 ± 0.004 Å |
c | 18.767 ± 0.003 Å |
α | 90° |
β | 96.635 ± 0.002° |
γ | 90° |
Cell volume | 5584.4 ± 1.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0255 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0663 |
Weighted residual factors for all reflections included in the refinement | 0.0666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4108108.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.