Information card for entry 1546287

Structure parameters

• Formula: C46 H46 Ag4 Cl F9 N14 O10 S3
• Calculated formula: C46 H46 Ag4 Cl F9 N14 O10 S3
• SMILES: [Ag]123[Cl]4[Ag]5(OS(=O)(=O)C(F)(F)F)[n]6c7N(c8nc9N(c%10[n]%11[Ag]4([cH]9c[cH]58)[c]4([n]([Ag](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)c(ccc4)N(c4[n]1c(N(c1[n]2c(N(c2nc(cc[cH]32)N(c6ccc7)C)C)ccc1)C)ccc4)C)N(c%11ccc%10)C)C)C.OC
• Title of publication: Macrocycle-assisted synthesis of non-stoichiometric silver(I) halide electrocatalysts for efficient chlorine evolution reaction
• Authors of publication: Zhang, Qiong-You; He, Xin; Zhao, Liang
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 24.864 ± 0.005 Å
• b: 10.112 ± 0.002 Å
• c: 24.94 ± 0.005 Å
• α: 90°
• β: 114.19 ± 0.03°
• γ: 90°
• Cell volume: 5720 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No