Information card for entry 7232414

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: 8.1394 ± 0.0007 Å
• b: 6.9798 ± 0.0007 Å
• c: 22.487 ± 0.002 Å
• α: 90°
• β: 94.788 ± 0.003°
• γ: 90°
• Cell volume: 1273.1 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No