Information card for entry 7709832

Structure parameters

• Formula: C40 H28 Ce2.02 Cu10.98 K6.7 O70.58
• Calculated formula: C40 H28 Ce2.021 Cu10.979 K6.7 O70.579
• 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: 23.212 ± 0.003 Å
• b: 23.212 ± 0.003 Å
• c: 18.09 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9747 ± 2 ų
• Cell temperature: 423 ± 2 K
• Ambient diffraction temperature: 423 ± 2 K
• Number of distinct elements: 6
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No