Information card for entry 1518084

Structure parameters

• Formula: C12 F21 S2 Sb2
• Calculated formula: C12 F21 S2 Sb2
• SMILES: F[Sb](F)(F)([F][Sb](F)(F)(F)(F)F)(F)F.S(Sc1c(F)c(F)c(F)c(c1F)F)c1c(F)c(F)c(c(c1F)F)F
• Title of publication: Diaryldichalcogenide radical cations
• Authors of publication: Mallow, Ole; Khanfar, Monther A.; Malischewski, Moritz; Finke, Pamela; Hesse, Malte; Lork, Enno; Augenstein, Timo; Breher, Frank; Harmer, Jeffrey R.; Vasilieva, Nadezhda V.; Zibarev, Andrey; Bogomyakov, Artem S.; Seppelt, Konrad; Beckmann, Jens
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 497
• a: 12.029 ± 0.004 Å
• b: 12.276 ± 0.006 Å
• c: 14.44 ± 0.007 Å
• α: 90°
• β: 97.662 ± 0.014°
• γ: 90°
• Cell volume: 2113.3 ± 1.6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• 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: 0.082
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No