Information card for entry 7105311

Structure parameters

• Common name: 2-mercaptobenzimidazole-1,2-diiodo-3,4,5,6-tetrafluorobenzene (1/1)
• Formula: C13 H6 F4 I2 N2 S
• Calculated formula: C13 H6 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: 8.2368 ± 0.0014 Å
• b: 8.5594 ± 0.0015 Å
• c: 12.643 ± 0.003 Å
• α: 88.742 ± 0.017°
• β: 85.274 ± 0.016°
• γ: 66.509 ± 0.01°
• Cell volume: 814.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1053
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No