Information card for entry 4118039

Structure parameters

• Formula: C162 H196 Ag6 Cl24 N30 O18 S6
• Calculated formula: C138 H144 Ag6 N30 O18 S6
• SMILES: [Ag]12([n]3c(cc(C)n3C(c3ccccc3[S](c3ccccc3)[Ag]3([n]4c(cc(C)n4C(c4ccccc4[S]([Ag]4([n]5c(cc(C)n5C(c5ccccc5[S]([Ag]5([n]6c(cc(C)n6C(c6ccccc6[S]([Ag]6([n]7c(cc(C)n7C(c7ccccc7[S]([Ag]7([n]8c(cc(C)n8C(c8ccccc8[S]2c2ccccc2)n2c(cc(C)[n]72)C)C)ON(=O)=O)c2ccccc2)n2c(cc(C)[n]62)C)C)ON(=O)=O)c2ccccc2)n2c(cc(C)[n]52)C)C)ON(=O)=O)c2ccccc2)n2c(cc(C)[n]42)C)C)ON(=O)=O)c2ccccc2)n2c(cc(C)[n]32)C)C)ON(=O)=O)n2c(cc(C)[n]12)C)C)ON(=O)=O
• Title of publication: Influence of Anions in Silver Supramolecular Frameworks: Structural Characteristics and Sorption Properties.
• Authors of publication: Irene Bassanetti; Francesco Mezzadri; Angiolina Comotti; Piero Sozzani; Marcello Gennari; Gianluca Calestani; Luciano Marchiò
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9142 - 9145
• a: 29.821 ± 0.005 Å
• b: 29.821 ± 0.005 Å
• c: 20.416 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15723 ± 4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No