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Information card for entry 1573864
Preview
| Coordinates | 1573864.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H28 Fe N6 S2 |
|---|---|
| Calculated formula | C42 H28 Fe N6 S2 |
| SMILES | [Fe]12([N](c3ccc(C#Cc4ccccc4)cc3)=Cc3[n]2cccc3)([n]2c(C=[N]1c1ccc(cc1)C#Cc1ccccc1)cccc2)(N=C=S)N=C=S |
| Title of publication | Stabilizing low symmetry-based functions of materials at room temperature through isosymmetric electronic bistability. |
| Authors of publication | Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Trzop, Elzbieta; Bataille, Thierry; Daro, Nathalie; Denux, Dominique; Guionneau, Philippe; Cailleau, Hervé; Chastanet, Guillaume; Le Guennic, Boris; Collet, Eric |
| Journal of publication | Materials horizons |
| Year of publication | 2025 |
| Journal volume | 12 |
| Journal issue | 5 |
| Pages of publication | 1463 - 1472 |
| a | 15.6569 ± 0.001 Å |
| b | 14.5792 ± 0.001 Å |
| c | 16.8595 ± 0.0009 Å |
| α | 90° |
| β | 93.153 ± 0.005° |
| γ | 90° |
| Cell volume | 3842.6 ± 0.4 Å3 |
| Cell temperature | 300 ± 0.12 K |
| Ambient diffraction temperature | 300 ± 0.12 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1814 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299156 (current) | 2025-04-05 | cif/ Updating files of 1573863, 1573864 Original log message: Adding full bibliography for 1573863--1573864.cif. |
1573864.cif |
| 297630 | 2025-02-07 | cif/ Adding structures of 1573863, 1573864 via cif-deposit CGI script. |
1573864.cif |
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Users of the data should acknowledge the original authors of the
structural data.