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Information card for entry 7042862
Preview
| Coordinates | 7042862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H33 Cl2 Cu F6 Fe2 P S6 |
|---|---|
| Calculated formula | C29 H33.492 Cl2 Cu F6 Fe2 P S6 |
| Title of publication | Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes |
| Authors of publication | Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 8.8586 ± 0.0006 Å |
| b | 14.7856 ± 0.0007 Å |
| c | 17.1123 ± 0.001 Å |
| α | 66.542 ± 0.003° |
| β | 78.47 ± 0.004° |
| γ | 80.944 ± 0.004° |
| Cell volume | 2007.1 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0791 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.188 |
| Weighted residual factors for all reflections included in the refinement | 0.1975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195903 (current) | 2017-05-03 | cif/ Adding structures of 7042861, 7042862, 7042863, 7042864, 7042865, 7042866 via cif-deposit CGI script. |
7042862.cif |
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Users of the data should acknowledge the original authors of the
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