Information card for entry 4333217

Structure parameters

• Formula: C4 As2 F16 N2 S6
• Calculated formula: C4 As2 F16 N2 S6
• SMILES: [As](F)(F)(F)(F)(F)[F-].C1(=NSSS1)C(F)(C(C1=NSSS1)(F)F)F.[As](F)(F)(F)(F)(F)[F-]
• Title of publication: Tuning intermolecular magnetic exchange interactions in the solids C(x)F(2)(x)(CNSSS)(2)(AsF(6))(2): structural, EPR, and magnetic characterization of dimeric (x = 2, 4) diradicals.
• Authors of publication: Decken, Andreas; Ebdah, Mohammad; Kowalczyk, Radoslaw M.; Landee, Christopher P.; McInnes, Eric J. L.; Passmore, Jack; Shuvaev, Konstantin V.; Thompson, Laurence K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7756 - 7766
• a: 6.5314 ± 0.0007 Å
• b: 7.5658 ± 0.0009 Å
• c: 9.6048 ± 0.0011 Å
• α: 100.962 ± 0.002°
• β: 96.885 ± 0.002°
• γ: 107.436 ± 0.002°
• Cell volume: 436.56 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No