Information card for entry 7060956

Structure parameters

• Formula: C144 H136 N76 O56 S4 Zn2
• Calculated formula: C144 H128 N76 O56 S4 Zn2
• Title of publication: Ultrastable cucurbit[6]uril-based multifunctional supramolecular assembly for efficient detection of nitroaromatic compounds and antibiotics
• Authors of publication: Guo, Jing; Shi, Lulu; Liu, Mei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 18221 - 18228
• a: 31.654 ± 0.005 Å
• b: 20.851 ± 0.003 Å
• c: 15.488 ± 0.002 Å
• α: 90°
• β: 94.774 ± 0.005°
• γ: 90°
• Cell volume: 10187 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.2992
• Weighted residual factors for all reflections included in the refinement: 0.3096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No