Information card for entry 4122708

Structure parameters

• Formula: Ce14 H1104 K2 Mo200 O1154
• Calculated formula: Ce14 K Mo200 O968.7
• 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: 27.0684 ± 0.0014 Å
• b: 28.3041 ± 0.0014 Å
• c: 35.7553 ± 0.0018 Å
• α: 92.786 ± 0.003°
• β: 110.338 ± 0.002°
• γ: 91.695 ± 0.003°
• Cell volume: 25624 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No