Information card for entry 7208275

Structure parameters

• Formula: C22 H8 F8 I4
• Calculated formula: C22 H8 F8 I4
• SMILES: c1(c(c(F)c(c(c1F)F)I)F)I.c1cccc2ccccc12.c1(c(c(c(c(c1F)F)I)F)F)I
• Title of publication: Phosphorescent cocrystals constructed by 1,4-diiodotetrafluorobenzene and polyaromatic hydrocarbons based on C‒I⋯π halogen bonding and other assisting weak interactions
• Authors of publication: Shen, Qian Jin; Pang, Xue; Zhao, Xiao Ran; Gao, Hai Yue; Sun, Hao-Ling; Jin, Wei Jun
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 5027
• a: 6.1364 ± 0.0011 Å
• b: 9.5989 ± 0.0017 Å
• c: 11.437 ± 0.002 Å
• α: 70.149 ± 0.002°
• β: 86.359 ± 0.003°
• γ: 82.98 ± 0.003°
• Cell volume: 628.72 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No