Information card for entry 7105310

Structure parameters

• Common name: thiourea-1,4-diiodo-2,3,5,6-tetrafluorobenzene (1/1)
• Formula: C7 H4 F4 I2 N2 S
• Calculated formula: C7 H4 F4 I2 N2 S
• Title of publication: Complementary halogen and hydrogen bonding: sulfur...iodine interactions and thioamide ribbons.
• Authors of publication: Arman, Hadi D; Gieseking, Rebecca L; Hanks, Timothy W; Pennington, William T
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 1854 - 1856
• a: 11.6519 ± 0.0018 Å
• b: 8.6561 ± 0.0014 Å
• c: 23.639 ± 0.004 Å
• α: 90°
• β: 91.057 ± 0.006°
• γ: 90°
• Cell volume: 2383.8 ± 0.7 ų
• Cell temperature: 163.15 K
• Ambient diffraction temperature: 163.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No