Information card for entry 7109575

Structure parameters

• Formula: C51 H48 Ag3 F9 N16 O9 S3
• Calculated formula: C51 H48 Ag3 F9 N16 O9 S3
• SMILES: [Ag]12[n]3c4N(c5[n]6[Ag][n]7c(N(c8nc(ccc8)N(c8[n]1c(N(c1[n]([Ag]9OS(=O)(=O)C(F)(F)F)c(N(c%10[n]2c(N(c3ccc4)C)ccc%10)C)ccc1)C)ccc8)C)C)cccc7N(C)c1[n]9c(ccc1)N(C)c6ccc5)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• 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: 13.158 ± 0.003 Å
• b: 13.945 ± 0.003 Å
• c: 16.183 ± 0.003 Å
• α: 97.3 ± 0.03°
• β: 90.51 ± 0.03°
• γ: 94.38 ± 0.03°
• Cell volume: 2936.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1236
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No