Information card for entry 7709834

Structure parameters

• Formula: C20 H14 Cu5.5 K2.25 O33.38 Pr
• Calculated formula: C20 H14 Cu5.5 K2.216 O35.614 Pr
• 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: 39.5746 ± 0.0014 Å
• b: 39.5746 ± 0.0014 Å
• c: 39.5746 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 61980 ± 4 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: 0.0627
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No