Information card for entry 4002035

Structure parameters

• Formula: C12 F6 I4
• Calculated formula: C12 F6 I4
• SMILES: c1(c(c(c(c2c(c(c(c(c2F)I)F)I)F)c(c1I)F)F)I)F
• Title of publication: Rational Design and Synthesis of Porous Polymer Networks: Toward High Surface Area
• Authors of publication: Lu, Weigang; Wei, Zhangwen; Yuan, Daqiang; Tian, Jian; Fordham, Stephen; Zhou, Hong-Cai
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 4589
• a: 8.067 ± 0.008 Å
• b: 23.1 ± 0.02 Å
• c: 4.34 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 808.7 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No