Information card for entry 7718697

Structure parameters

• Formula: C29.8 H36.9 Au Cl N3 S0.95
• Calculated formula: C29.7959 H36.8981 Au Cl N3 S0.949
• Title of publication: Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties
• Authors of publication: Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 24
• Pages of publication: 9576 - 9583
• a: 10.139 ± 0.001 Å
• b: 13.1189 ± 0.0013 Å
• c: 13.2117 ± 0.0013 Å
• α: 107.881 ± 0.003°
• β: 102.79 ± 0.003°
• γ: 108.608 ± 0.003°
• Cell volume: 1482.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No