Information card for entry 7236569

Structure parameters

• Formula: C34 H24 B F2 N5
• Calculated formula: C34 H24 B F2 N5
• Title of publication: Aza-BODIPY dyes with heterocyclic substituents and their derivatives bearing a cyanide co-ligand: NIR donor materials for vacuum-processed solar cells
• Authors of publication: Li, Tian-yi; Meyer, Toni; Meerheim, Rico; Höppner, Marco; Körner, Christian; Vandewal, Koen; Zeika, Olaf; Leo, Karl
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 10696
• a: 10.9204 ± 0.0011 Å
• b: 11.8225 ± 0.0012 Å
• c: 12.8908 ± 0.0013 Å
• α: 85.313 ± 0.004°
• β: 73.628 ± 0.003°
• γ: 65.884 ± 0.003°
• Cell volume: 1456.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No