Information card for entry 7228736

Structure parameters

• Chemical name: 135TIPB-FA
• Formula: C38 H20 F3 I3
• Calculated formula: C38 H20 F3 I3
• Title of publication: Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds
• Authors of publication: Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 17.2928 ± 0.0009 Å
• b: 23.1876 ± 0.001 Å
• c: 7.7431 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3104.8 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No