Information card for entry 7708738

Structure parameters

• Formula: C28 H54 Cu2 N6 O47 W12 Zn
• Calculated formula: C28 H54 Cu2 N6 O47 W12 Zn
• Title of publication: pH-controlled assembly of [ZnW12O40]6–based hybrids from 0D dimer to 2D network: synthesis, crystal structure, and photocatalytic performance in transformation of toluene into benzaldehyde
• Authors of publication: Guo, Keke; Yang, Yanli; Dong, Si-Meng; Li, Fengyan; Jiang, Xin-Ye; Xu, Lin
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 21.4367 ± 0.0016 Å
• b: 23.8076 ± 0.0017 Å
• c: 26.7171 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13635.2 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.11 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No