Information card for entry 7715425

Structure parameters

• Formula: C36 H54 Cr2 N24 O27
• Calculated formula: C36 H54 Cr2 N24 O27
• Title of publication: Selective removal of Cr₂O₇^2- in aqueous solution by nonporous pure crystals of cucurbit[6]uril.
• Authors of publication: Xu, Jing; Li, Bin; Zhang, Xiu-Du; Wu, Dong; Zhao, Jiang-Lin; Chen, Kai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 6168 - 6172
• a: 15.901 ± 0.002 Å
• b: 11.616 ± 0.002 Å
• c: 15.297 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2825.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.174
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2534
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No