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Information card for entry 7251100
Preview
| Coordinates | 7251100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H19 Cl3 N4 S2 |
|---|---|
| Calculated formula | C32 H19 Cl3 N4 S2 |
| Title of publication | Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence |
| Authors of publication | Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 10.29396 ± 0.00007 Å |
| b | 23.41077 ± 0.00018 Å |
| c | 11.59685 ± 0.00008 Å |
| α | 90° |
| β | 91.6145 ± 0.0006° |
| γ | 90° |
| Cell volume | 2793.61 ± 0.03 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.037 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303002 (current) | 2025-10-24 | cif/ Adding structures of 7251100, 7251101 via cif-deposit CGI script. |
7251100.cif |
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Users of the data should acknowledge the original authors of the
structural data.