Information card for entry 4331529

Structure parameters

• Formula: C3 As F11 N S3
• Calculated formula: C3 As F11 N S3
• SMILES: C1(=NSSS1)C(C(F)(F)F)(F)F.[As](F)(F)(F)(F)(F)[F-]
• 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: 15.112 ± 0.003 Å
• b: 5.8204 ± 0.0012 Å
• c: 14.503 ± 0.003 Å
• α: 90°
• β: 112.439 ± 0.003°
• γ: 90°
• Cell volume: 1179.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No