Information card for entry 4133367

Structure parameters

• Formula: C110 H608 Mo154 N20 Na8 O716
• Calculated formula: C45.2 H45.2 Mo154 N8 Na1.2 O624.2
• 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: 36.286 ± 0.007 Å
• b: 43.194 ± 0.009 Å
• c: 31.497 ± 0.006 Å
• α: 90°
• β: 108.25 ± 0.03°
• γ: 90°
• Cell volume: 46883 ± 18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.1992
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No