Information card for entry 2000731

Structure parameters

• Formula: C40 H32 Hg2 I14 S32
• Calculated formula: C40 H32 Hg2 I14 S32
• Title of publication: Structure of (BEDT-TTF)~4~Hg~2~I~6~(I~8~)
• Authors of publication: Bu, X.; Coppens, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1565 - 1566
• a: 8.892 ± 0.001 Å
• b: 15.627 ± 0.002 Å
• c: 17.84 ± 0.002 Å
• α: 66.169 ± 0.009°
• β: 79.791 ± 0.009°
• γ: 85.81 ± 0.009°
• Cell volume: 2231.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for significantly intense reflections: 3.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No