Information card for entry 7052577

Structure parameters

• Formula: C30 H90 Ag6 O15 S39 W6 Yb2
• Calculated formula: C30 H78 Ag6 O15 S39 W6 Yb2
• Title of publication: Syntheses and NLO properties of 1D heterothiometallic anionic W/S/Ag clusters possessing solvento-ytterbium cation-directed isomeric skeletons
• Authors of publication: Zhang, Jinfang; Meng, Suci; Song, Yinglin; Yang, Junyi; Wei, Hongyang; Huang, Wenjiang; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 328
• a: 15.409 ± 0.003 Å
• b: 18.605 ± 0.004 Å
• c: 18.404 ± 0.004 Å
• α: 90°
• β: 102.37 ± 0.03°
• γ: 90°
• Cell volume: 5154 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No