Information card for entry 4131020

Structure parameters

• Formula: C132 H138 Ag10 Cu2 O2 P2
• Calculated formula: C132 H138 Ag10 Cu2 O2 P2
• SMILES: [C]12(#CC#CC(C)(C)C)[Cu]3456[C]7(#CC#CC(C)(C)C)[Ag]893[Ag]3([Ag]%10([Ag]%11%12([C]%13([Ag]%14%15([C]%16(#CC#CC(C)(C)C)[Ag]%17%18([Ag]%19([Ag]%20([Ag]14([C]68%14#CC#CC(C)(C)C)[C]%20#CC#CC(C)(C)C)[C]%19#CC#CC(C)(C)C)[C]%17#CC#CC(C)(C)C)[C]%11([Ag]257[P](c1ccccc1)(c1ccccc1)c1ccccc1)(#CC#CC(C)(C)C)[Cu]%12%13%15%16%18)[P](c1ccccc1)(c1ccccc1)c1ccccc1)#CC#CC(C)(C)C)[C]%10#CC#CC(C)(C)C)[C]3#CC#CC(C)(C)C)[C]9#CC#CC(C)(C)C.O.O
• Title of publication: Assembly of Heterometallic Silver(I)-Copper(I) Alkyl-1,3-diynyl Clusters via Inner-Core Expansion.
• Authors of publication: Hau, Sam C. K.; Yeung, Margaret C.-L.; Yam, Vivian W.-W.; Mak, Thomas C. W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 41
• Pages of publication: 13732 - 13739
• a: 13.1713 ± 0.0013 Å
• b: 15.8646 ± 0.0015 Å
• c: 17.2421 ± 0.0017 Å
• α: 101.523 ± 0.002°
• β: 111.227 ± 0.002°
• γ: 90.437 ± 0.002°
• Cell volume: 3278.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No