Information card for entry 1517681

Structure parameters

• Formula: C40 H36 Ag5 F9 N12 O10 S4
• Calculated formula: C40 H36 Ag5 F9 N12 O10 S4
• SMILES: [Ag]1[n]2c3N(c4nc(N(c5[n]6[Ag]7[Ag]89%10([Ag]([n]%11c(N(c%12nc(N(c2ccc3)C)ccc%12)C)cccc%11N(C)c2nc(ccc2)N(c6ccc5)C)[S]179[Ag]8(OS(=O)(=O)C(F)(F)[F]%10)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C)ccc4)C.CO
• Title of publication: A macrocycle-assisted nanoparticlization process for bulk Ag2S
• Authors of publication: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 654
• a: 10.57 ± 0.002 Å
• b: 21.277 ± 0.004 Å
• c: 23.103 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5195.8 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.1363
• Weighted residual factors for significantly intense reflections: 0.3604
• Weighted residual factors for all reflections included in the refinement: 0.3768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No