Information card for entry 7709835

Structure parameters

• Formula: C60 H42 Cu16.5 K6.75 O100.12 Pr3
• Calculated formula: C60 H42 Cu16.5 K6.693 O106.422 Pr3
• Title of publication: Chiral Wheel Anions of Copper(II)-Early Lanthanides(III) with High Optical-Limiting Properties
• Authors of publication: Xu, Xiongli; He, Yuan; Meng, Wei; Yao, Lu; Liu, Liangliang; Xu, Feng; Zhao, Chujun
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 39.543 ± 0.008 Å
• b: 39.543 ± 0.008 Å
• c: 39.543 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 61831 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 211
• Hermann-Mauguin space group symbol: I 4 3 2
• Hall space group symbol: I 4 2 3
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No