Information card for entry 7211461

Structure parameters

• Formula: C72 H36 B F24
• Calculated formula: C72 H36 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: 15.022 ± 0.012 Å
• b: 32.94 ± 0.03 Å
• c: 13.667 ± 0.01 Å
• α: 90°
• β: 109.008 ± 0.01°
• γ: 90°
• Cell volume: 6394 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No