Information card for entry 1572813

Structure parameters

• Formula: C53 H44 Au3.1 Cu0.9 N4
• Calculated formula: C53 H44 Au3.1 Cu0.9 N4
• Title of publication: N-Heterocyclic Carbene-Stabilized Gold-Copper Nanoclusters: Synthesis, Bonding and Mechanochromism
• Authors of publication: Zuo, Dongjie; He, Ayisha; Shen, Hui; Guo, Huifang; Xu, Qinghua; Li, Zilin; Li, Simin
• Journal of publication: Nanoscale
• Year of publication: 2024
• a: 11.3091 ± 0.0001 Å
• b: 15.7826 ± 0.0002 Å
• c: 25.6534 ± 0.0002 Å
• α: 90°
• β: 100.216 ± 0.001°
• γ: 90°
• Cell volume: 4506.21 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No