Information card for entry 1573943

Structure parameters

• Formula: C68 H50 Ag2 Au2 P2
• Calculated formula: C68 H50 Ag2 Au2 P2
• SMILES: [Au]123[Ag]45([Au]6([Ag]71([P](c1ccccc1)(c1ccccc1)c1ccccc1)([C]3#[C]7c1ccccc1)[C]6#Cc1ccccc1)[C]4#[C]5c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[C]2#Cc1ccccc1
• Title of publication: Electrocatalytic nitrogen reduction to ammonia by graphene-supported Au₄Cu₂ and Au₂Ag₂ nanoclusters.
• Authors of publication: Shehzad, Aamir; Yi, Qiuhao; Cui, Chaonan; Luo, Zhixun
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 7453 - 7459
• a: 11.3993 ± 0.0002 Å
• b: 21.628 ± 0.0003 Å
• c: 21.962 ± 0.0003 Å
• α: 90°
• β: 93.759 ± 0.001°
• γ: 90°
• Cell volume: 5402.95 ± 0.14 ų
• Cell temperature: 110.01 ± 0.1 K
• Ambient diffraction temperature: 110.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No