Information card for entry 4506646

Structure parameters

• Formula: C19 H10 F4 I2
• Calculated formula: C19 H10 F4 I2
• Title of publication: Phosphorescent Cocrystals Assembled by 1,4-Diiodotetrafluorobenzene and Fluorene and Its Heterocyclic Analogues Based on C‒I···π Halogen Bonding
• Authors of publication: Gao, Hai Yue; Zhao, Xiao Ran; Wang, Hui; Pang, Xue; Jin, Wei Jun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4377
• a: 8.587 ± 0.0007 Å
• b: 7.1141 ± 0.0006 Å
• c: 14.7861 ± 0.0012 Å
• α: 90°
• β: 99.209 ± 0.001°
• γ: 90°
• Cell volume: 891.62 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No