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Information card for entry 1562052
Preview
| Coordinates | 1562052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H98 B4 Co2 F8 Fe2 N36 O6 |
|---|---|
| Calculated formula | C86 H98 B4 Co2 F8 Fe2 N36 O6 |
| Title of publication | Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes |
| Authors of publication | Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake |
| Journal of publication | The Journal of Physical Chemistry A |
| Year of publication | 2021 |
| a | 13.476 ± 0.0008 Å |
| b | 13.4982 ± 0.0008 Å |
| c | 17.3464 ± 0.0011 Å |
| α | 75.871 ± 0.004° |
| β | 80.2 ± 0.004° |
| γ | 84.287 ± 0.004° |
| Cell volume | 3009.7 ± 0.3 Å3 |
| Cell temperature | 280 ± 2 K |
| Ambient diffraction temperature | 280 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2303 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.1821 |
| Weighted residual factors for all reflections included in the refinement | 0.2447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264493 (current) | 2021-04-24 | cif/ Adding structures of 1562052 via cif-deposit CGI script. |
1562052.cif |
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Users of the data should acknowledge the original authors of the
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