Information card for entry 7211463

Structure parameters

• Formula: C42 H24 B F24 S4
• Calculated formula: C42 H24 B F24 S4
• Title of publication: π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions
• Authors of publication: Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 10638
• a: 12.8081 ± 0.0003 Å
• b: 13.7618 ± 0.0004 Å
• c: 13.8612 ± 0.0004 Å
• α: 109.975 ± 0.0013°
• β: 90.7942 ± 0.0013°
• γ: 97.8496 ± 0.0013°
• Cell volume: 2269.9 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 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: 0.0676
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No