Information card for entry 7063394

Structure parameters

• Formula: C29 H30 B10 Cl F
• Calculated formula: C29 H30 B10 Cl F
• Title of publication: Halogen-containing bridged carborane-tetraphenylethene compound: efficient and wide-range shifted excitation-dependent emissions
• Authors of publication: Li, Fengjiao; Dong, Yiran; Miao, Jin-Ling; Nie, Yong; Zhang, Yujian; Li, Tianrui; Xu, Chunyue; Liu, Guang-Ning; Jiang, Xuchuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 14.1612 ± 0.0004 Å
• b: 12.8676 ± 0.0004 Å
• c: 31.9346 ± 0.001 Å
• α: 90°
• β: 98.367 ± 0.003°
• γ: 90°
• Cell volume: 5757.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No