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Information card for entry 1574368
Preview
| Coordinates | 1574368.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 Au2 Fe N7 O |
|---|---|
| Calculated formula | C17 H17 Au2 Fe N7 O |
| Title of publication | Switchable Colossal Anisotropic Thermal Expansion in a Spin Crossover Framework |
| Authors of publication | Wu, Si-Guo; Cui, Wen; Ruan, Ze-Yu; Ni, Zhao-Ping; Tong, Ming-Liang |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 12.7477 ± 0.0006 Å |
| b | 15.3811 ± 0.0009 Å |
| c | 22.2404 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4360.8 ± 0.4 Å3 |
| Cell temperature | 225 ± 0.1 K |
| Ambient diffraction temperature | 225 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 73 |
| Hermann-Mauguin space group symbol | I b c a |
| Hall space group symbol | -I 2b 2c |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| 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 |
|---|---|---|---|
| 299218 (current) | 2025-04-09 | cif/ Adding structures of 1574366, 1574367, 1574368, 1574369, 1574370, 1574371, 1574372, 1574373 via cif-deposit CGI script. |
1574368.cif |
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Users of the data should acknowledge the original authors of the
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