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Information card for entry 7042861
Preview
| Coordinates | 7042861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H33.5 Co F12 Fe2 P2 S6 |
|---|---|
| Calculated formula | C28 H46 Co F12 Fe2 P2 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 | 39.9194 ± 0.0012 Å |
| b | 11.8698 ± 0.0003 Å |
| c | 18.0617 ± 0.0006 Å |
| α | 90° |
| β | 91.9193 ± 0.0012° |
| γ | 90° |
| Cell volume | 8553.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0533 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| 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. |
7042861.cif |
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Users of the data should acknowledge the original authors of the
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