Information card for entry 4119257

Structure parameters

• Formula: C39.5 H521 K36 N19 O580 Se8 W118 Zn2
• Calculated formula: C9.9 K28.05 N8 O472.4 Se8 W118 Zn2
• Title of publication: One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates
• Authors of publication: Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1796 - 1805
• a: 24.2676 ± 0.0007 Å
• b: 34.0705 ± 0.001 Å
• c: 38.7161 ± 0.0011 Å
• α: 74.163 ± 0.002°
• β: 77.371 ± 0.002°
• γ: 72.63 ± 0.002°
• Cell volume: 29061.6 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1306
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No