Information card for entry 7702377

Structure parameters

• Chemical name: 7,7,8,8-Tetracyano-p-quinodimethane - bis(Benzene-1,2-dithiolato) -diborane adduct, form A
• Formula: C24 H12 B2 N4 S4
• Calculated formula: C24 H12 B2 N4 S4
• Title of publication: Crystalline TCNQ and TCNE adducts of the diborane(4) compounds B2(1,2-E2C6H4)2 (E = O or S)
• Authors of publication: Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 2127
• a: 7.803 ± 0.003 Å
• b: 7.855 ± 0.004 Å
• c: 9.867 ± 0.004 Å
• α: 73.85 ± 0.05°
• β: 85.71 ± 0.03°
• γ: 83.18 ± 0.03°
• Cell volume: 576.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0844
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.0979
• Goodness-of-fit parameter for all reflections: 0.982
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No