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Information card for entry 7703086
Preview
| Coordinates | 7703086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H43 Fe3 K O19 S |
|---|---|
| Calculated formula | C38 H43 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 | 13.248 ± 0.002 Å |
| b | 14.1411 ± 0.0017 Å |
| c | 14.322 ± 0.003 Å |
| α | 114.37 ± 0.016° |
| β | 110.071 ± 0.018° |
| γ | 94.339 ± 0.015° |
| Cell volume | 2220.4 ± 0.8 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 | 0.1272 |
| Residual factor for significantly intense reflections | 0.0881 |
| Weighted residual factors for significantly intense reflections | 0.2157 |
| Weighted residual factors for all reflections included in the refinement | 0.2572 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246375 (current) | 2020-01-01 | cif/ Adding structures of 7703086, 7703087, 7703088 via cif-deposit CGI script. |
7703086.cif |
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Users of the data should acknowledge the original authors of the
structural data.