Information card for entry 7062980

Structure parameters

• Formula: C168 H96 Cd6 O28 S
• Calculated formula: C168 H96 Cd6 O28 S
• Title of publication: An AIE-ligand-based coordination polymer with a new wheel-shaped Cd6 cluster, a unique bamboo-like architecture and highly efficient dual-response sensing properties
• Authors of publication: Zhang, Jinfang; Zhao, Shunchang; Tao, Xingyu; Chen, Qinghan; Yin, Dejing; Zhang, Chi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 3656 - 3664
• a: 19.7106 ± 0.0008 Å
• b: 19.7106 ± 0.0008 Å
• c: 26.2488 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8831.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No