Information card for entry 7718358

Structure parameters

• Formula: C3 H6 Au Br2 N S2
• Calculated formula: C3 H6 Au Br2 N S2
• 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: 6.7854 ± 0.0003 Å
• b: 6.8958 ± 0.0002 Å
• c: 10.2472 ± 0.0004 Å
• α: 90°
• β: 108.353 ± 0.004°
• γ: 90°
• Cell volume: 455.09 ± 0.03 ų
• Cell temperature: 100.03 ± 0.1 K
• Ambient diffraction temperature: 100.03 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No