Information card for entry 7702379

Structure parameters

• Chemical name: tetracyanoethene - bis(Benzene-1,2-dithiolato) -diborane adduct
• Formula: C18 H8 B2 N4 S4
• Calculated formula: C18 H8 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: 6.861 ± 0.003 Å
• b: 7.172 ± 0.003 Å
• c: 10.862 ± 0.003 Å
• α: 80.8 ± 0.02°
• β: 79.61 ± 0.03°
• γ: 64 ± 0.02°
• Cell volume: 470.5 ± 0.3 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: 0.0669
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.1156
• Goodness-of-fit parameter for all reflections: 0.967
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No