Information card for entry 1558095

Structure parameters

• Common name: [(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]
• Chemical name: [(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]
• Formula: C24 H54 Ag6 O46 S6 Si W12
• Calculated formula: C24 H54 Ag6 O46 S6 Si W12
• Title of publication: Synthesis and characterization of a nanocluster-based silver(i) tert-butylethynide compound with a large second-harmonic generation response.
• Authors of publication: Hu, Ting; Hu, Chunli; Li, Yuhang; Meng, Lingyi; Xie, Yiming; Liao, Mingyue; Zhong, Guiming; Lu, Can-Zhong
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 11847 - 11857
• a: 27.1669 ± 0.0007 Å
• b: 18.3273 ± 0.0004 Å
• c: 13.8912 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6916.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No