Information card for entry 7119757

Structure parameters

• Common name: cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 4 3-aminobenzenesulfonate anion_ 8.5 H2O
• Formula: C62 H58 N14 O20.5 S4
• Calculated formula: C62 H58 N14 O20.5 S4
• Title of publication: Discrete 1 : 1 complexes and higher order assemblies formed from aminobenzene sulphonate anions and a tetraimidazolium "molecular box".
• Authors of publication: Wang, Cai-Ling; Zhou, Li; Zhang, Lei; Xiang, Jun-Feng; Rambo, Brett M.; Sessler, Jonathan L.; Gong, Han-Yuan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 26
• Pages of publication: 3669 - 3672
• a: 14.779 ± 0.008 Å
• b: 15.437 ± 0.008 Å
• c: 17.69 ± 0.009 Å
• α: 92.382 ± 0.007°
• β: 109.532 ± 0.006°
• γ: 112.414 ± 0.0006°
• Cell volume: 3449 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No