Information card for entry 7245164

Structure parameters

• Formula: C19 H18 B F2 I N2
• Calculated formula: C19 H18 B F2 I 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: 12.8973 ± 0.0011 Å
• b: 13.329 ± 0.0011 Å
• c: 10.574 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1817.8 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No