Information card for entry 7244615

Structure parameters

• Formula: C56 H88 Cr3 Cu8 Mo18 N24 O94
• Calculated formula: C56 H88 Cr3 Cu8 Mo18 N24 O94
• Title of publication: Polyoxometalate-based CuII/CoII complexes tuned using various metal–pyrazole loops: design, diverse architectures and catalytic activity toward the oxidation of thioether derivatives
• Authors of publication: Zhang, Jing-Yuan; Zhang, Yu-Chen; Wang, Xiu-Li; Chang, Zhi-Han; Zhang, Zhong; Lin, Hong-Yan; Cui, Zi-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 15.0645 ± 0.0006 Å
• b: 15.3364 ± 0.0006 Å
• c: 17.7822 ± 0.0007 Å
• α: 90.076 ± 0.001°
• β: 113.74 ± 0.001°
• γ: 105.522 ± 0.001°
• Cell volume: 3595.7 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No