Information card for entry 7060008

Structure parameters

• Formula: C30 H37 Cu N15 O43 P W12
• Calculated formula: C30 H37 Cu N15 O43 P 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: 11.6599 ± 0.001 Å
• b: 14.124 ± 0.0012 Å
• c: 20.5224 ± 0.0018 Å
• α: 98.765 ± 0.002°
• β: 95.235 ± 0.002°
• γ: 110.197 ± 0.002°
• Cell volume: 3096.9 ± 0.5 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: 0.0923
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No