Information card for entry 7712420

Structure parameters

• Formula: C166 H198 F48 N26 O30 P5 Pd6 S7
• Calculated formula: C124 H90 F48 N26 O2 P5 Pd6 S2
• Title of publication: Self-Assembly of Tripyrazolate-Linked [M6L2] Cages for Selective Sensing of HSO3- and gas SO2 by Turn-on Fluorescence
• Authors of publication: Wang, Pei-Pei; Tong, Jin; Meng, Cong; Yuan, Qing; Deng, Wei; Yu, Shu-Yan
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 55.0704 ± 0.0004 Å
• b: 31.5923 ± 0.0002 Å
• c: 26.9571 ± 0.0002 Å
• α: 90°
• β: 115.835 ± 0.001°
• γ: 90°
• Cell volume: 42212.5 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.1395
• Residual factor for significantly intense reflections: 0.1317
• Weighted residual factors for significantly intense reflections: 0.3211
• Weighted residual factors for all reflections included in the refinement: 0.3255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No