Information card for entry 7718699

Structure parameters

• Formula: C38 H42 Au N3 S
• Calculated formula: C38 H42 Au N3 S
• 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: 11.698 ± 0.0004 Å
• b: 16.913 ± 0.0004 Å
• c: 17.056 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3374.5 ± 0.16 ų
• Cell temperature: 116.45 ± 0.1 K
• Ambient diffraction temperature: 116.45 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No