Information card for entry 4131012

Structure parameters

• Formula: C108 H102 Ag4 N2 P4
• Calculated formula: C108 H102 Ag4 N2 P4
• SMILES: [Ag]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C](#CC#CC(C)(C)C)[Ag][C](#CC#CC(C)(C)C)[Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[C](#CC#CC(C)(C)C)[Ag][C]1#CC#CC(C)(C)C.C(#N)C.C(#N)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: 19.6169 ± 0.0018 Å
• b: 27.203 ± 0.003 Å
• c: 37.155 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19827 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No