Information card for entry 7129538

Structure parameters

• Formula: C61 H88 Ag3 Cl2 Cu2 P S6
• Calculated formula: C61 H88 Ag3 Cl2 Cu2 P S6
• SMILES: [Ag]1[S]([Cu]2[S]([Ag][S]([Cu]([S]1C1CCCCC1)[S]([Ag][S]2C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1)C1CCCCC1.ClCCl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.
• Authors of publication: He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 10
• Pages of publication: 1577 - 1580
• a: 13.7242 ± 0.0003 Å
• b: 20.2084 ± 0.0006 Å
• c: 26.4773 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7343.3 ± 0.4 ų
• Cell temperature: 190 ± 0.1 K
• Ambient diffraction temperature: 190 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No