Information card for entry 7107133

Structure parameters

• Formula: C38 H32 Cu2 O14 S24
• Calculated formula: C38 H24 Cu2 O14 S24
• Title of publication: (BEDT-TTF)3Cu2(C2O4)3(CH3OH)2: an organic-inorganic hybrid antiferromagnetic semiconductor
• Authors of publication: Bin Zhang; Yan Zhang; Daoben Zhu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 197
• a: 8.6554 ± 0.0003 Å
• b: 16.921 ± 0.0006 Å
• c: 20.0587 ± 0.0008 Å
• α: 104.959 ± 0.002°
• β: 102.301 ± 0.002°
• γ: 91.736 ± 0.002°
• Cell volume: 2761.7 ± 0.18 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1073
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No