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Information card for entry 7712953
Preview
| Coordinates | 7712953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H22 Cl2 Co F12 N2 O4 |
|---|---|
| Calculated formula | C34 H22 Cl2 Co F12 N2 O4 |
| Title of publication | Easy-axis magnetic anisotropy in tetragonally elongated cobalt(II) complexes beyond the spin-Hamiltonian formalism |
| Authors of publication | Mičová, Romana; Rajnák, Cyril; Titis, Jan; Bieńko, Alina; Moncol, Jan; Samolova, Erika; Boca, Roman |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 9.1173 ± 0.0009 Å |
| b | 14.4277 ± 0.0013 Å |
| c | 14.3485 ± 0.0014 Å |
| α | 90° |
| β | 107.966 ± 0.003° |
| γ | 90° |
| Cell volume | 1795.4 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0508 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283538 (current) | 2023-05-06 | cif/ Adding structures of 7712951, 7712952, 7712953 via cif-deposit CGI script. |
7712953.cif |
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Users of the data should acknowledge the original authors of the
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