Information card for entry 4119255

Structure parameters

• Formula: C38 H510 Co2 K39 N19 Na0 O580 Se8 W118
• Calculated formula: C2.5 Co2 K29.7 N3 O447.1 Se8 W118
• 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: 24.2248 ± 0.0009 Å
• b: 34.0703 ± 0.0013 Å
• c: 38.6487 ± 0.0014 Å
• α: 74.287 ± 0.002°
• β: 77.327 ± 0.002°
• γ: 72.61 ± 0.002°
• Cell volume: 28968.3 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1347
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No