Information card for entry 7214388

Structure parameters

• Formula: C28 H32 As F6 S16
• Calculated formula: C28 H32 As F6 S16
• SMILES: S1C2=C(S[C@H](C)[C@H]1C)SC(S2)=C1SC2=C(S1)S[C@@H]([C@H](S2)C)C.S1C2=C(S[C@H](C)[C@H]1C)SC(S2)=C1SC2=C(S1)S[C@@H]([C@H](S2)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: 6.9129 ± 0.0005 Å
• b: 8.1497 ± 0.0003 Å
• c: 19.4274 ± 0.0009 Å
• α: 83.261 ± 0.005°
• β: 84.544 ± 0.005°
• γ: 71.107 ± 0.004°
• Cell volume: 1026.48 ± 0.1 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: 0.0468
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0912
• 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