Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4117799
Preview
Coordinates | 4117799.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53.5 H101.5 B2 Fe4 N16.5 O2.5 S9 W2 |
---|---|
Calculated formula | C53.5 H101.5 B2 Fe4 N16.5 O2.5 S9 W2 |
Title of publication | Selenium as a Structural Surrogate of Sulfur: Template-Assisted Assembly of Five Types of Tungsten-Iron-Sulfur/Selenium Clusters and the Structural Fate of Chalcogenide Reactants |
Authors of publication | Bo Zheng; Xu-Dong Chen; Shao-Liang Zheng; R. H. Holm |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 6479 - 6490 |
a | 20.431 ± 0.006 Å |
b | 10.277 ± 0.003 Å |
c | 37.268 ± 0.011 Å |
α | 90° |
β | 91.281 ± 0.005° |
γ | 90° |
Cell volume | 7823 ± 4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1561 |
Residual factor for significantly intense reflections | 0.0703 |
Weighted residual factors for significantly intense reflections | 0.1525 |
Weighted residual factors for all reflections included in the refinement | 0.1937 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4117799.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.