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CIF Information Card
Information card for 7101904
7101903 << 7101904 >> 7101905Preview
|
Coordinates |
7101904.cif |
Structure parameters
| Formula | - C56 H48 Fe2 O2 P4 S2 - |
| Calculated formula | - C56 H48 Fe2 O2 P4 S2 - |
| Title of publication | Lewis vs. Brønsted-basicities of diiron dithiolates: spectroscopic detection of the "rotated structure" and remarkable effects of ethane- vs. propanedithiolate. |
| Authors of publication | Justice, Aaron K; Zampella, Giuseppe; De Gioia, Luca; Rauchfuss, Thomas B |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 20 |
| Pages of publication | 2019 - 2021 |
| a | 10.9417 ± 0.0007 Å |
| b | 17.3546 ± 0.001 Å |
| c | 26.1713 ± 0.0015 Å |
| α | 90° |
| β | 97.901 ± 0.002° |
| γ | 90° |
| Cell volume | 4922.5 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0797 |
| Residual factor for observed reflections | 0.0374 |
| Weighted residual factors for the observed reflections | 0.0506 |
| Weighted residual factors for all reflections included in the refinement | 0.0569 |
| Goodness-of-fit parameter for observed reflections | 0.808 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |