Information card for entry 1548311

Structure parameters

• Formula: C9 H56 K Mo10 N O42 S10
• Calculated formula: C9 K1.00333 Mo10 N0.996667 O41.6867 S10
• 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: 23.7146 ± 0.0012 Å
• b: 23.7146 ± 0.0012 Å
• c: 19.1834 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9343 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No