Information card for entry 7109576

Structure parameters

• Formula: C63 H69 Ag3 F9 N18 O11.5 S3
• Calculated formula: C63 H69 Ag3 F9 N18 O11.5 S3
• Title of publication: Positive homotropic allosteric binding of silver(I) ions in multidentate azacalixpyridine macrocycles: effect on the formation and stabilization of silver nanoparticles
• Authors of publication: Xin He; Xiao-Bin; Xun Wang; Liang Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7153
• a: 13.1897 ± 0.0007 Å
• b: 13.7061 ± 0.0008 Å
• c: 20.5215 ± 0.0011 Å
• α: 94.475 ± 0.004°
• β: 90.36 ± 0.004°
• γ: 104.014 ± 0.005°
• Cell volume: 3587.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No