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Information card for entry 1566030
Preview
| Coordinates | 1566030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H43 Fe2 K N2 O6 P2 |
|---|---|
| Calculated formula | C31 H43 Fe2 K N2 O6 P2 |
| Title of publication | Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes |
| Authors of publication | van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 24.953 ± 0.0008 Å |
| b | 10.2928 ± 0.0004 Å |
| c | 28.5081 ± 0.0009 Å |
| α | 90° |
| β | 106.275 ± 0.001° |
| γ | 90° |
| Cell volume | 7028.5 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272109 (current) | 2022-01-19 | cif/ Adding structures of 1566029, 1566030, 1566031, 1566032 via cif-deposit CGI script. |
1566030.cif |
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Users of the data should acknowledge the original authors of the
structural data.