Information card for entry 1548315

Structure parameters

• Formula: C20 H126 K14 Mo34 O148 S24
• Calculated formula: C20 K13.6 Mo34 O147.01 S24
• Title of publication: Discovery of gigantic molecular nanostructures using a flow reaction array as a search engine
• Authors of publication: Hong-Ying Zang; Andreu Ruiz de la Oliva; Haralampos N. Miras; De-Liang Long; Roy T. McBurney; Leroy Cronin
• Journal of publication: Nature Communications
• Year of publication: 2014
• Journal volume: 5
• Pages of publication: 3715
• a: 26.515 ± 0.002 Å
• b: 44.264 ± 0.003 Å
• c: 17.7362 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20816 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.1173
• Weighted residual factors for significantly intense reflections: 0.2478
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No