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Information card for entry 4350055
Preview
| Coordinates | 4350055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Fe N6 Se2 |
|---|---|
| Calculated formula | C30 H30 Fe N6 Se2 |
| SMILES | c1cccc2C[N]3(CC[N]4([Fe]3([n]12)(N=C=[Se])([n]1ccccc1C4)N=C=[Se])Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes |
| Authors of publication | Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 2194 |
| a | 9.1025 ± 0.0006 Å |
| b | 17.8172 ± 0.0013 Å |
| c | 17.8861 ± 0.0012 Å |
| α | 90° |
| β | 92.747 ± 0.003° |
| γ | 90° |
| Cell volume | 2897.5 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237963 (current) | 2019-11-24 | cif/ Adding structures of 4350049, 4350050, 4350051, 4350052, 4350053, 4350054, 4350055, 4350056 via cif-deposit CGI script. |
4350055.cif |
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Users of the data should acknowledge the original authors of the
structural data.