Information card for entry 1557562

Structure parameters

• Formula: C73 H76 Ag3 Cl2 Cu2 P S6
• Calculated formula: C73 H76 Ag3 Cl2 Cu2 P S6
• SMILES: [Ag]1[S](c2c(cc(cc2)C)C)[Cu]2[S]([Ag][S](c3c(cc(cc3)C)C)[Cu]([S](c3c(cc(cc3)C)C)[Ag][S]2c2c(cc(cc2)C)C)[S]1c1c(cc(cc1)C)C)c1c(cc(cc1)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: A small bimetallic Ag₃Cu₂ nanocluster with dual emissions within and against Kasha's rule.
• Authors of publication: Anumula, Rajini; Xiao, Pin; Cui, Chaonan; Wu, Haiming; Cui, Ganglong; Fang, Wei-Hai; Luo, Zhixun; Yao, Jiannian
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 7864 - 7869
• a: 14.5564 ± 0.0011 Å
• b: 33.71 ± 0.003 Å
• c: 14.6416 ± 0.0011 Å
• α: 90°
• β: 94.219 ± 0.001°
• γ: 90°
• Cell volume: 7165.1 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No