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Information card for entry 7718815
Preview
| Coordinates | 7718815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H31 Cl Co N4 O6 |
|---|---|
| Calculated formula | C37 H31 Cl Co N4 O6 |
| Title of publication | Elucidation of trans/cis-isomerization of cinnamate ligand on structural, spectroscopic and magnetic properties of cobalt(II) single-molecule magnets |
| Authors of publication | Halaš, Petr; Nemec, Ivan; Cizmar, Erik; Herchel, Radovan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 12.9403 ± 0.0002 Å |
| b | 15.244 ± 0.0002 Å |
| c | 17.2158 ± 0.0003 Å |
| α | 90° |
| β | 109.783 ± 0.0019° |
| γ | 90° |
| Cell volume | 3195.59 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1576 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299883 (current) | 2025-05-31 | cif/ Adding structures of 7718815, 7718816 via cif-deposit CGI script. |
7718815.cif |
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Users of the data should acknowledge the original authors of the
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