Information card for entry 4000481

Structure parameters

• Formula: C7 H4 Au0.44 I0.88 S4 Se2
• Calculated formula: C7 H4 Au S4 Se2
• Authors of publication: Kazuo Takimiya
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 3.993 ± 0.005 Å
• b: 12.448 ± 0.004 Å
• c: 25.119 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1248 ± 1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.422
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No