Information card for entry 4333218

Structure parameters

• Formula: C6 As2 F20 N2 S6
• Calculated formula: C6 As2 F20 N2 S6
• SMILES: [As](F)(F)(F)(F)([F-])F.C1(=NSSS1)C(C(F)(C(C(C1=NSSS1)(F)F)(F)F)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: 10.6398 ± 0.0016 Å
• b: 7.968 ± 0.0011 Å
• c: 12.7468 ± 0.0019 Å
• α: 90°
• β: 99.758 ± 0.002°
• γ: 90°
• Cell volume: 1065 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No