Information card for entry 7211465

Structure parameters

• Formula: C39 H18 B Cl2 F24 S4
• Calculated formula: C39 H18 B Cl2 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: 13.058 ± 0.002 Å
• b: 15.975 ± 0.003 Å
• c: 21.315 ± 0.004 Å
• α: 90°
• β: 93.417 ± 0.004°
• γ: 90°
• Cell volume: 4438.4 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No