Information card for entry 7718357

Structure parameters

• Formula: C31 H30 Au2 Br2 Cl2 N2 S4
• Calculated formula: C31 H30 Au2 Br2 Cl2 N2 S4
• Title of publication: A revised understanding of the speciation of gold(III) dithiocarbamate complexes in solution.
• Authors of publication: Brown, Ryan K.; Bunyan, Joseph N.; Agrawal, Ashi; Li, Guoyu; Dautoras, Dominykas; Sarker, Jagodish C.; Keat, Terng Tor; Hicks, Thomas; Hogarth, Graeme; Pugh, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 7627 - 7640
• a: 9.6057 ± 0.0003 Å
• b: 13.9353 ± 0.0005 Å
• c: 14.0539 ± 0.0003 Å
• α: 99.425 ± 0.002°
• β: 92.426 ± 0.002°
• γ: 97.391 ± 0.002°
• Cell volume: 1836.55 ± 0.1 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No