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Information card for entry 7245168
Preview
| Coordinates | 7245168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 B F2 I3 N2 |
|---|---|
| Calculated formula | C19 H16 B F2 I3 N2 |
| Title of publication | Exploring halogen⋯halogen interactions in supramolecular self-assemblies of BODIPY networks |
| Authors of publication | Topaloğlu Aksoy, Burcu; Dedeoglu, Burcu; Zorlu, Yunus; Ayhan, Mehmet Menaf; Çoşut, Bünyemin |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 10.7772 ± 0.0015 Å |
| b | 13.5103 ± 0.0019 Å |
| c | 15.027 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2188 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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 |
|---|---|---|---|
| 276815 (current) | 2022-07-23 | cif/ Adding structures of 7245164, 7245165, 7245166, 7245167, 7245168 via cif-deposit CGI script. |
7245168.cif |
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Users of the data should acknowledge the original authors of the
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