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Information card for entry 7721085
Preview
| Coordinates | 7721085.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | sql-1-Fe-NCS?2MB |
|---|---|
| Formula | C36 H32 Fe N6 S2 |
| Calculated formula | C36 H32 Fe N6 S2 |
| Title of publication | Aromatic guest-induced layer expansion and phase switching in a 2D square lattice coordination network. |
| Authors of publication | Wang, Shi-Qiang; Darwish, Shaza; Xu, Shan; Wang, Rong; Zaworotko, Michael J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2026 |
| Journal volume | 55 |
| Journal issue | 20 |
| Pages of publication | 8033 - 8039 |
| a | 21.3414 ± 0.0011 Å |
| b | 11.5792 ± 0.0006 Å |
| c | 12.9982 ± 0.0006 Å |
| α | 90° |
| β | 99.303 ± 0.001° |
| γ | 90° |
| Cell volume | 3169.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1032 |
| Residual factor for significantly intense reflections | 0.0879 |
| Weighted residual factors for significantly intense reflections | 0.2224 |
| Weighted residual factors for all reflections included in the refinement | 0.235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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