Information card for entry 4131011

Structure parameters

• Formula: C100 H88 Ag4 P4
• Calculated formula: C100 H88 Ag4 P4
• SMILES: [Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C](#CC#CC(C)C)[Ag][C](#CC#CC(C)C)[Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C](#CC#CC(C)C)[Ag][C]1#CC#CC(C)C
• 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: 18.753 ± 0.003 Å
• b: 22.105 ± 0.004 Å
• c: 22.412 ± 0.004 Å
• α: 83.449 ± 0.003°
• β: 81.184 ± 0.003°
• γ: 74.146 ± 0.003°
• Cell volume: 8806 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2325
• Weighted residual factors for all reflections included in the refinement: 0.2944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No