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Information card for entry 7721042
Preview
| Coordinates | 7721042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Fe4Mo2^2- |
|---|---|
| Formula | C51 H48 Fe4 K2 Mo2 O30 |
| Calculated formula | C51 H48 Fe4 K2 Mo2 O30 |
| 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 | 16.9288 ± 0.0003 Å |
| b | 8.7619 ± 0.0001 Å |
| c | 19.7002 ± 0.0003 Å |
| α | 90° |
| β | 92.469 ± 0.001° |
| γ | 90° |
| Cell volume | 2919.39 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7721042.cif |
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