Information card for entry 7242108

Structure parameters

• Formula: C92 H110 Cl17 N50 O28 Zn4
• Calculated formula: C92 H110 Cl17 N50 O28 Zn4
• Title of publication: Host‒guest modes and supramolecular frameworks of complexes of tetramethyl cucurbit[6]uril with 4-chloroaniline and 4,4′-diaminostilbene
• Authors of publication: Meng, Ye; Zhao, Weiwei; Zheng, Jun; Jiang, Daofa; Gao, Jie; Jin, Yanmei; Ma, Peihua
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 3470 - 3475
• a: 18.07 ± 0.003 Å
• b: 21.05 ± 0.003 Å
• c: 21.095 ± 0.005 Å
• α: 105.503 ± 0.009°
• β: 104.705 ± 0.008°
• γ: 104.621 ± 0.005°
• Cell volume: 7023 ± 2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No