Information card for entry 7051732

Structure parameters

• Formula: C104 H118 Cl4 N52 O25
• Calculated formula: C104 H116 Cl4 N52 O25
• Title of publication: Exclusion complexes of the HCl salts of benzidine and bis(4-aminophenyl) methane with two methyl-substituted cucurbiturils
• Authors of publication: Yan, Ying; Xue, Sai-Feng; Cong, Hang; Zhang, Jian-Xing; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2136
• a: 23.9121 ± 0.0019 Å
• b: 17.6841 ± 0.0014 Å
• c: 16.8216 ± 0.0013 Å
• α: 90°
• β: 99.475 ± 0.002°
• γ: 90°
• Cell volume: 7016.2 ± 1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.3501
• Weighted residual factors for all reflections included in the refinement: 0.3773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No