Information card for entry 7057345

Structure parameters

• Formula: C6 Cl2 F12 O4 S2
• Calculated formula: C6 Cl2 F12 O4 S2
• Title of publication: Cooperative intermolecular S‒Cl⋯O and F⋯F associations in the crystal packing of α,ω-di(sulfonyl chloride) perfluoroalkanes, ClSO2(CF2)nSO2Cl, where n = 4, 6
• Authors of publication: Liu, Xiaolin; McMillen, Colin D.; Thrasher, Joseph S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 10484
• a: 5.3148 ± 0.0007 Å
• b: 24.007 ± 0.003 Å
• c: 5.8975 ± 0.0008 Å
• α: 90°
• β: 111.669 ± 0.003°
• γ: 90°
• Cell volume: 699.3 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No