Information card for entry 7718698

Structure parameters

• Formula: C34 H39 Au Cl N3 S
• Calculated formula: C34 H39 Au Cl 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: 10.5521 ± 0.0004 Å
• b: 11.9537 ± 0.0005 Å
• c: 14.4742 ± 0.0006 Å
• α: 93.583 ± 0.003°
• β: 107.583 ± 0.004°
• γ: 111.135 ± 0.004°
• Cell volume: 1592.9 ± 0.13 ų
• Cell temperature: 117 ± 2 K
• Ambient diffraction temperature: 117 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No