Information card for entry 7060007

Structure parameters

• Formula: C36 H41 Cl Cu3 N18 O43 Si W12
• Calculated formula: C36 H41 Cl Cu3 N18 O43 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: 16.5772 ± 0.001 Å
• b: 20.5702 ± 0.001 Å
• c: 20.9666 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7149.5 ± 0.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No