Information card for entry 4506645

Structure parameters

• Formula: C18 H8 F4 I2 O
• Calculated formula: C18 H8 F4 I2 O
• 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: 5.4259 ± 0.0011 Å
• b: 5.7691 ± 0.0011 Å
• c: 13.919 ± 0.003 Å
• α: 90.582 ± 0.003°
• β: 101.061 ± 0.003°
• γ: 101.593 ± 0.003°
• Cell volume: 418.35 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No