Information card for entry 7717509

Structure parameters

• Formula: C12 H6 B Cl2 F N2 O2
• Calculated formula: C12 H6 B Cl2 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
• Year of publication: 2024
• a: 7.084 ± 0.004 Å
• b: 7.205 ± 0.005 Å
• c: 13.827 ± 0.007 Å
• α: 96.26 ± 0.03°
• β: 97.76 ± 0.05°
• γ: 116.43 ± 0.02°
• Cell volume: 614.7 ± 0.7 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: 0.0965
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No