Information card for entry 7719035

Structure parameters

• Formula: C20 H10 B Br6 F2 N3
• Calculated formula: C20 H10 B Br6 F2 N3
• Title of publication: Synthesis, structure, spectral and redox properties of 3-pyrrolyl BODIPYs containing one to eight bromides at the pyrrole carbons.
• Authors of publication: Chauhan, Pinky; Ravikanth, Mangalampalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 7465 - 7474
• a: 8.3985 ± 0.0004 Å
• b: 10.9871 ± 0.0004 Å
• c: 13.8246 ± 0.0006 Å
• α: 73.539 ± 0.004°
• β: 72.537 ± 0.004°
• γ: 85.421 ± 0.004°
• Cell volume: 1166.98 ± 0.09 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0311
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No