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Information card for entry 1574229
Preview
| Coordinates | 1574229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H60 B2 F8 Fe N28 O12 |
|---|---|
| Calculated formula | C74 H60 B2 F8 Fe N28 O12 |
| Title of publication | [2+2] photocyclization converts thermally induced spin crossover into “hidden hysteresis” effect |
| Authors of publication | Kaźmierczak, Marcin; Weselski, Marek; Siczek, Miłosz; Wolny, Juliusz; Schünemann, Volker; Bronisz, Robert |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 10.755 ± 0.002 Å |
| b | 13.221 ± 0.003 Å |
| c | 14.686 ± 0.003 Å |
| α | 93.25 ± 0.02° |
| β | 99.83 ± 0.02° |
| γ | 113.15 ± 0.03° |
| Cell volume | 1874.1 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0488 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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 |
|---|---|---|---|
| 298581 (current) | 2025-03-26 | cif/ Adding structures of 1574226, 1574227, 1574228, 1574229, 1574230, 1574231, 1574232 via cif-deposit CGI script. |
1574229.cif |
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Users of the data should acknowledge the original authors of the
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