Information card for entry 1565707

Structure parameters

• Formula: C36 H36 Cl2 Cu2 N26 O23
• Calculated formula: C36 H36 Cl2 Cu2 N26 O23
• Title of publication: Anion control in the complexation of cucurbit[6]uril with Cu(II) salts
• Authors of publication: Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 499
• Pages of publication: 119183
• a: 14.925 ± 0.005 Å
• b: 15.983 ± 0.005 Å
• c: 11.551 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2755.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No