Information card for entry 4131018

Structure parameters

• Formula: C208 H198 Ag10 Cu2 F12 P8
• Calculated formula: C208 H178 Ag10 Cu2 F12 P8
• SMILES: [P](F)(F)(F)(F)(F)[F-].[P]([Ag]123[C]4([Ag]5([P](c6ccccc6)(c6ccccc6)c6ccccc6)[C]6([Ag]78[C]9(#CC#CC%10CCCCC%10)[Ag]%10%117[C]7(#CC#CC%12CCCCC%12)[Ag]%12([C]3(#CC#CC3CCCCC3)[Ag]3%13%12[C]1([Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[C]8%13#CC#CC1CCCCC1)(#CC#CC1CCCCC1)[Cu]24563)[C]1([Ag]2([P](c3ccccc3)(c3ccccc3)c3ccccc3)[C]3([Ag]49([P](c5ccccc5)(c5ccccc5)c5ccccc5)[C]%10([Ag]7[P](c5ccccc5)(c5ccccc5)c5ccccc5)(#CC#CC5CCCCC5)[Cu]%111234)#CC#CC1CCCCC1)#CC#CC1CCCCC1)#CC#CC1CCCCC1)#CC#CC1CCCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• 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: 16.1392 ± 0.0015 Å
• b: 18.1415 ± 0.0017 Å
• c: 18.8643 ± 0.0018 Å
• α: 64.357 ± 0.002°
• β: 67.868 ± 0.002°
• γ: 83.347 ± 0.002°
• Cell volume: 4605 ± 0.8 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: 0.0864
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No