Information card for entry 7060006

Structure parameters

• Formula: C36 H45 Cu4 N12 O46.5 Si W12
• Calculated formula: C36 H45 Cu4 N12 O46.5 Si W12
• Title of publication: Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties
• Authors of publication: Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18074 - 18083
• a: 16.31 ± 0.005 Å
• b: 21.462 ± 0.005 Å
• c: 22.041 ± 0.005 Å
• α: 90°
• β: 101.026 ± 0.005°
• γ: 90°
• Cell volume: 7573 ± 3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 7
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No