Information card for entry 7232412

Structure parameters

• Formula: C10 H4 I N O S4
• Calculated formula: C10 H4 I N O S4
• Title of publication: Halogen and chalcogen-bonding interactions in sulphur-rich π-electron acceptors
• Authors of publication: Le Gal, Yann; Colas, Adrien; Barrière, Frédéric; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 1934
• a: 4.1078 ± 0.0007 Å
• b: 24.675 ± 0.005 Å
• c: 13.943 ± 0.003 Å
• α: 90°
• β: 118.785 ± 0.007°
• γ: 90°
• Cell volume: 1238.6 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1094
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No