Information card for entry 7245165

Structure parameters

• Formula: C19 H17 B F2 I2 N2
• Calculated formula: C19 H17 B F2 I2 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: 36.279 ± 0.007 Å
• b: 6.3131 ± 0.001 Å
• c: 17.888 ± 0.003 Å
• α: 90°
• β: 104.391 ± 0.013°
• γ: 90°
• Cell volume: 3968.4 ± 1.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No