Information card for entry 7211462

Structure parameters

• Formula: C76 H64 B F24
• Calculated formula: C76 H64 B F24
• 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: 16.96 ± 0.004 Å
• b: 32.662 ± 0.007 Å
• c: 14.213 ± 0.003 Å
• α: 90°
• β: 100.821 ± 0.006°
• γ: 90°
• Cell volume: 7733 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1431
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No