Information card for entry 4122707

Structure parameters

• Formula: Ce7 H434 K Mo100 O518
• Calculated formula: Ce7 K Mo100 O477.6
• Title of publication: Controlling the Ring Curvature, Solution Assembly, and Reactivity of Gigantic Molybdenum Blue Wheels.
• Authors of publication: Xuan, Weimin; Surman, Andrew J.; Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 14114
• a: 31.3443 ± 0.001 Å
• b: 32.3864 ± 0.0011 Å
• c: 92.098 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 93491 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No