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Information card for entry 1576074
Preview
| Coordinates | 1576074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 B2 F8 N10 O4 Zn |
|---|---|
| Calculated formula | C24 H18 B2 F8 N10 O4 Zn |
| Title of publication | Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature |
| Authors of publication | Fukui, Tomoya; Tsuchiya, Masahiro; Mita, Naoya; Fukushima, Takanori |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 16.5259 ± 0.0004 Å |
| b | 10.511 ± 0.0003 Å |
| c | 16.4296 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2853.88 ± 0.13 Å3 |
| Cell temperature | 93.15 K |
| Ambient diffraction temperature | 93.15 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303011 (current) | 2025-10-28 | cif/ Adding structures of 1576072, 1576073, 1576074, 1576075, 1576076, 1576077 via cif-deposit CGI script. |
1576074.cif |
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Users of the data should acknowledge the original authors of the
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