Information card for entry 7214387

Structure parameters

• Formula: C28 H32 As F6 S16
• Calculated formula: C28 H32 As F6 S16
• SMILES: S1[C@@H](C)[C@@H](SC2=C1SC(S2)=C1SC2=C(S1)S[C@H]([C@@H](S2)C)C)C.S1[C@@H](C)[C@@H](SC2=C1SC(S2)=C1SC2=C(S1)S[C@H]([C@@H](S2)C)C)C.F[As](F)(F)(F)([F-])F
• Title of publication: Charge transfer complexes and radical cation salts of chiral methylated organosulfur donors
• Authors of publication: Yang, Songjie; Pop, Flavia; Melan, Caroline; Brooks, Andrew C.; Martin, Lee; Horton, Peter; Auban-Senzier, Pascale; Rikken, Geert L. J. A.; Avarvari, Narcis; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3906
• a: 6.9166 ± 0.0001 Å
• b: 8.1526 ± 0.0005 Å
• c: 19.4288 ± 0.0011 Å
• α: 83.25 ± 0.005°
• β: 84.511 ± 0.003°
• γ: 71.107 ± 0.003°
• Cell volume: 1027.41 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No