Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7703087
Preview
| Coordinates | 7703087.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H47 Fe3 K O19 S |
|---|---|
| Calculated formula | C40 H47 Fe3 K O19 S |
| Title of publication | Facile hydrogen atom abstraction and sulfide formation in a methyl-thiolate capped iron-sulfur-carbonyl cluster. |
| Authors of publication | Shupp, J. Patrick; Rose, Michael J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 1 |
| Pages of publication | 23 - 26 |
| a | 11.695 ± 0.0003 Å |
| b | 15.2437 ± 0.0004 Å |
| c | 15.3863 ± 0.0004 Å |
| α | 63 ± 0.003° |
| β | 70.31 ± 0.002° |
| γ | 87.375 ± 0.002° |
| Cell volume | 2282.27 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246375 (current) | 2020-01-01 | cif/ Adding structures of 7703086, 7703087, 7703088 via cif-deposit CGI script. |
7703087.cif |
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.