Information card for entry 7237896

Structure parameters

• Formula: C100 H104 N26 O28 Zn
• Calculated formula: C100 H88 N26 O28 Zn
• Title of publication: A novel cucurbit[6]uril-based supramolecular coordination assembly as a multi-responsive luminescent sensor for Fe3+, Cr2O72− and isoquinoline antibiotics in aqueous medium
• Authors of publication: Sun, Jiupeng; Guo, Pengpeng; Liu, Mei; Li, Hui
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 8992
• a: 17.621 ± 0.003 Å
• b: 21.874 ± 0.003 Å
• c: 25.8 ± 0.004 Å
• α: 90°
• β: 105.875 ± 0.004°
• γ: 90°
• Cell volume: 9565 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1923
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No