Information card for entry 4117381

Structure parameters

• Common name: ClBBO.SbF6.MeCN
• Formula: C8 H3 Cl F6 N3 O S4 Sb
• Calculated formula: C8 H3 Cl F6 N3 O S4 Sb
• Title of publication: Semiquinone-Bridged Bisdithiazolyl Radicals as Neutral Radical Conductors
• Authors of publication: Xin Yu; Aaron Mailman; Kristina Lekin; Abdeljalil Assoud; Craig M. Robertson; Bruce C. Noll; Charles F. Campana; Judith A. K. Howard; Paul A. Dube; Richard T. Oakley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2264 - 2275
• a: 14.3729 ± 0.0007 Å
• b: 14.3342 ± 0.0007 Å
• c: 16.5005 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3399.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No