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Information card for entry 7714969
Preview
| Coordinates | 7714969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H88 B2 Cl2 Fe4 N26 O8 |
|---|---|
| Calculated formula | C96 H88 B2 Cl2 Fe4 N26 O8 |
| Title of publication | Electron transfer coupled spin transition in cyano-bridged mixed-valence {FeIII2FeII2} molecular squares. |
| Authors of publication | Jia, Shuwen; Shang, Mengjia; Jin, Sai; Zhu, Xinrui; Cai, Yuanyuan; Li, Dongfeng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 6 |
| Pages of publication | 2807 - 2814 |
| a | 11.684 ± 0.002 Å |
| b | 14.378 ± 0.003 Å |
| c | 16.243 ± 0.003 Å |
| α | 107.075 ± 0.009° |
| β | 94.534 ± 0.01° |
| γ | 104.418 ± 0.009° |
| Cell volume | 2491.9 ± 0.8 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1157 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.2063 |
| Weighted residual factors for all reflections included in the refinement | 0.2287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | Synchrotron |
| Diffraction radiation X-ray symbol | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290173 (current) | 2024-03-04 | cif/ Updating files of 7714965, 7714966, 7714967, 7714968, 7714969, 7714970 Original log message: Adding full bibliography for 7714965--7714970.cif. |
7714969.cif |
| 289025 | 2024-01-11 | cif/ Adding structures of 7714965, 7714966, 7714967, 7714968, 7714969, 7714970 via cif-deposit CGI script. |
7714969.cif |
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Users of the data should acknowledge the original authors of the
structural data.