Information card for entry 2312879

Structure parameters

• Formula: C8 H4 Au2 Cl4 N4 S2
• Calculated formula: C8 H4 Au2 Cl4 N4 S2
• Title of publication: Aurophilic interactions in a mixed-valent Au^I/III 4-cyanothiazole complex.
• Authors of publication: Ejnik, Maciej; Ponikiewski, Łukasz; Bruździak, Piotr; Dołęga, Anna
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 4
• Pages of publication: 433 - 438
• a: 13.2411 ± 0.0017 Å
• b: 6.5876 ± 0.0007 Å
• c: 9.8146 ± 0.0013 Å
• α: 90°
• β: 113.595 ± 0.01°
• γ: 90°
• Cell volume: 784.53 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No