Information card for entry 4133368

Structure parameters

• Formula: C48 H546 Ce4 Mo132 N24 O643
• Calculated formula: C48 H74 Ce4 Mo132 N24 O610.2
• Title of publication: Stereoselective Assembly of Gigantic Chiral Molybdenum Blue Wheels Using Lanthanide Ions and Amino Acids.
• Authors of publication: Xuan, Weimin; Pow, Robert; Watfa, Nancy; Zheng, Qi; Surman, Andrew J.; Long, De-Liang; Cronin, Leroy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 3
• Pages of publication: 1242 - 1250
• a: 35.3331 ± 0.0015 Å
• b: 47.455 ± 0.002 Å
• c: 20.2692 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 33986 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No