Information card for entry 1574420

Structure parameters

• Formula: C325 H377 Ag4 Cl32 Cu28 P8 S16
• Calculated formula: C280 H272 Ag4 Cl32 Cu28 P8 S16
• Title of publication: An atomically precise alloy AgCu cuboid nanocluster with a cubic core: gram scale synthesis, total structure, electronic structure, and catalytic performance.
• Authors of publication: Nag, Abhijit; Butt, Abdul Mannan; Yang, Moon Young; Managutti, Praveen B.; Pirzada, Bilal Masood; H Mohideen, M Infas; Abdelhady, Ahmed L.; Abu Haija, Mohamed; Mohamed, Sharmarke; Merinov, Boris V.; GoddardIII, William A; Qurashi, Ahsanulhaq
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 5252 - 5258
• a: 26.5679 ± 0.0003 Å
• b: 26.5679 ± 0.0003 Å
• c: 23.7512 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16764.9 ± 0.4 ų
• Cell temperature: 99.99 ± 0.11 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2607
• Weighted residual factors for all reflections included in the refinement: 0.2919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No