Information card for entry 1508491

Structure parameters

• Formula: C12 H10 Au0.94 Cl1.88 N2 S6
• Calculated formula: C12 H10 Au0.94 Cl1.88 N2 S6
• Title of publication: Structural and Electrical Properties of the tau-(P-S,S-DMEDT-TTF)2 (AuCl2) (AuCl2)y Compound with (y <> 0.9)
• Authors of publication: Psycharis, Vassilis; Mousdis, George A.; Murata, Keizo; Papavassiliou, George C.
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 1283 - 1290
• a: 7.3259 ± 0.0001 Å
• b: 7.3259 ± 0.0001 Å
• c: 67.5487 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3625.26 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No