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Information card for entry 7721041
Preview
| Coordinates | 7721041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Fe4^2- |
|---|---|
| Formula | C82.5 H84.5 F2.5 Fe6 K3 O36 |
| Calculated formula | C82.5 H84.5 F2.5 Fe6 K3 O36 |
| Title of publication | Synthesis, structure & diphenylacetylene reduction reactivity of a carbide-supported Fe4Mo2 carbonyl cluster: a higher Fe-valence hydride intermediate for enhanced selectivity |
| Authors of publication | Dick, Emily; Joseph, Chris; Lynch, Vincent M.; Rose, Michael J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 11.2695 ± 0.0007 Å |
| b | 20.7691 ± 0.0014 Å |
| c | 22.4933 ± 0.0012 Å |
| α | 113.941 ± 0.006° |
| β | 101.028 ± 0.005° |
| γ | 95.66 ± 0.006° |
| Cell volume | 4630.9 ± 0.6 Å3 |
| Cell temperature | 99.9 ± 0.5 K |
| Ambient diffraction temperature | 100.15 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 | 0.1498 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306059 (current) | 2026-05-21 | cif/ Adding structures of 7721041, 7721042 via cif-deposit CGI script. |
7721041.cif |
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Users of the data should acknowledge the original authors of the
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