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Information card for entry 7710281
Preview
| Coordinates | 7710281.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H49 Cl2 Fe N2 |
|---|---|
| Calculated formula | C45 H49 Cl2 Fe N2 |
| SMILES | C1(=C(C(c2ccccc2)=[N](c2c(cccc2C(C)C)C(C)C)[Fe](Cl)(Cl)N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1 |
| Title of publication | Slow magnetic relaxation in a trigonal-planar mononuclear Fe(ii) complex |
| Authors of publication | Li, Yuzhu; Xi, Jing; Ferrando-Soria, Jesús; Zhang, Yi-Quan; Wang, Wenyuan; Song, You; Guo, Yan; Pardo, Emilio; Liu, Xiangyu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 12.604 ± 0.002 Å |
| b | 16.344 ± 0.003 Å |
| c | 20.239 ± 0.004 Å |
| α | 94.765 ± 0.007° |
| β | 92.058 ± 0.006° |
| γ | 109.136 ± 0.006° |
| Cell volume | 3916.4 ± 1.2 Å3 |
| Cell temperature | 153.15 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0567 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275494 (current) | 2022-05-18 | cif/ Adding structures of 7710281, 7710282 via cif-deposit CGI script. |
7710281.cif |
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