Information card for entry 1548316

Structure parameters

• Formula: C61 H141 K8 Mo18 N7 O99 S18
• Calculated formula: C47.3 K8 Mo18 N4 O98.9 S18
• 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: 30.5759 ± 0.0009 Å
• b: 17.0735 ± 0.0005 Å
• c: 38.4463 ± 0.0012 Å
• α: 90°
• β: 113.034 ± 0.002°
• γ: 90°
• Cell volume: 18470.3 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No