Information card for entry 2019350

Structure parameters

• Formula: C46 H84 N6 O2 Se4 Tl2
• Calculated formula: C52 H72 N6 O4 Se4 Tl2
• Title of publication: Bis(tetra-n-butylammonium) Bis(μ-1,1-dicyanoethene-2,2-diselenolato)dithallate(I) Acetone Solvate, [(C4H9)4N]2[Tl2{Se2C=C(CN)2}2].2(CH3)2CO
• Authors of publication: Zahn, G.; Franke, A.; Dietzsch, W.
• Journal of publication: Acta Crystallographica Section C Crystal Structure Communications
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 854
• a: 12.973 ± 0.002 Å
• b: 12.572 ± 0.002 Å
• c: 18.993 ± 0.002 Å
• α: 90°
• β: 107.98 ± 0.01°
• γ: 90°
• Cell volume: 2946.4 ± 0.7 ų
• Cell temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0474
• Goodness-of-fit parameter for significantly intense reflections: 1.52
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No