Information card for entry 7245167

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: 14.782 ± 0.006 Å
• b: 10.554 ± 0.004 Å
• c: 13.415 ± 0.006 Å
• α: 90°
• β: 107.167 ± 0.007°
• γ: 90°
• Cell volume: 1999.6 ± 1.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No