Information card for entry 1546288

Structure parameters

• Formula: C46 H52 Ag5 Br F12 N14 O17 S4
• Calculated formula: C46 H52 Ag5 Br F12 N14 O17 S4
• SMILES: [Ag]12([Br]3[Ag]45[O]([Ag]6([OH2][Ag]73[Ag]([OH2])([OH2])[n]3c8N(c9[n]7c(N(c7[n]6c(N(c6[n]4c(N(c4nc(cc[cH]54)N(c4[n]2c(N(c2[n]1c(N(c3ccc8)C)ccc2)C)ccc4)C)C)ccc6)C)ccc7)C)ccc9)C)[OH2])S(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
• 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: 10.277 ± 0.002 Å
• b: 17.015 ± 0.003 Å
• c: 19.143 ± 0.004 Å
• α: 91.21 ± 0.03°
• β: 102.96 ± 0.03°
• γ: 90.15 ± 0.03°
• Cell volume: 3261.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No