Information card for entry 4331530

Structure parameters

• Formula: C2 As Cl3 F6 N S3
• Calculated formula: C2 As Cl3 F6 N S3
• Title of publication: Toward a More General Synthetic Route to Paramagnetic Solids Containing RCNSSS•+Radical Cations. A Structure−Property Correlation for RCNSSS•+(R = F5C2, Cl3C)
• Authors of publication: Decken, Andreas; Mattar, Saba M.; Passmore, Jack; Shuvaev, Konstantin V.; Thompson, Laurence K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 3878 - 3886
• a: 8.7769 ± 0.0009 Å
• b: 11.8319 ± 0.0011 Å
• c: 22.826 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2370.4 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No