Information card for entry 7243637

Structure parameters

• Formula: C124 H110 Cu8 I8 N10 O16 S8
• Calculated formula: C124 H110 Cu8 I8 N10 O16 S8
• Title of publication: Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties
• Authors of publication: Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 7179 - 7185
• a: 21.5046 ± 0.0017 Å
• b: 16.0447 ± 0.0006 Å
• c: 23.0476 ± 0.0014 Å
• α: 90°
• β: 115.557 ± 0.009°
• γ: 90°
• Cell volume: 7174.2 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.1169
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9434
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No