Information card for entry 7717508

Structure parameters

• Formula: C12 H6 B Br2 F N2 O2
• Calculated formula: C12 H6 B Br2 F N2 O2
• Title of publication: Contribution of radiative rate constants to crystallization-induced emission enhancement in boron-fused azobenzene complexes.
• Authors of publication: Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 1079 - 1086
• a: 6.975 ± 0.003 Å
• b: 7.306 ± 0.003 Å
• c: 14.302 ± 0.006 Å
• α: 95.261 ± 0.003°
• β: 97.928 ± 0.006°
• γ: 115.739 ± 0.007°
• Cell volume: 640.8 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No