Information card for entry 7712765

Structure parameters

• Formula: C220 H242 Cl3.17 Cu16 N4 O44 P8 S16
• Calculated formula: C220 H242 Cl3.174 Cu16 N4 O44 P8 S16
• Title of publication: Atomically Accurate Structural Tailoring of Thiacalix[4]arene-Protected Copper(II)-Based Metallamacrocycles
• Authors of publication: Liu, Chao; Mu, Wen-Lei; Wu, Linlin; Yu, Weidong; Yi, Xiao-Yi; Yan, Jun
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 17.16 ± 0.002 Å
• b: 33.513 ± 0.005 Å
• c: 22.472 ± 0.003 Å
• α: 90°
• β: 96.721 ± 0.006°
• γ: 90°
• Cell volume: 12834 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No