Information card for entry 7039245

Structure parameters

• Formula: C28 H29.44 B O12.72 S16
• Calculated formula: C28 H29.436 B O12.718 S16
• Title of publication: Enantiopure and racemic radical-cation salts of B(malate)2(-) anions with BEDT-TTF.
• Authors of publication: Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Yamada, Jun-Ichi; Kadoya, Tomofumi; Coles, Simon J.; Wilson, Claire
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9285 - 9293
• a: 8.662 ± 0.0004 Å
• b: 11.9323 ± 0.0005 Å
• c: 21.7062 ± 0.0007 Å
• α: 76.855 ± 0.005°
• β: 84.526 ± 0.006°
• γ: 70.436 ± 0.005°
• Cell volume: 2058.13 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0623
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No