Information card for entry 7018763

Structure parameters

• Formula: C16 H11 B Br2 F2 N2 O
• Calculated formula: C16 H11 B Br2 F2 N2 O
• Title of publication: Brominated boron dipyrrins: synthesis, structure, spectral and electrochemical properties
• Authors of publication: Lakshmi, V.; Ravikanth, M.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5903
• a: 8.0532 ± 0.0004 Å
• b: 9.476 ± 0.0004 Å
• c: 11.2338 ± 0.0005 Å
• α: 78.222 ± 0.004°
• β: 83.573 ± 0.004°
• γ: 67.746 ± 0.004°
• Cell volume: 776.15 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No