Information card for entry 4518124

Structure parameters

• Formula: C34 H60 Cu2 N20 O52 Si W12
• Calculated formula: C34 H60 Cu2 N20 O52 Si W12
• Title of publication: A Series of Polyoxometalate-Based Metal‒Bis(pyridyl-tetrazole) Complexes with High Electrocatalytic Activity for Hydrogen Evolution Reaction in Alkaline and Acid Media
• Authors of publication: Wang, Xiu-Li; Tian, Yuan; Chang, Zhi-Han; Lin, Hongyan
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2020
• a: 12.2804 ± 0.0011 Å
• b: 12.5014 ± 0.0011 Å
• c: 14.7202 ± 0.0014 Å
• α: 67.243 ± 0.002°
• β: 66.628 ± 0.002°
• γ: 87.759 ± 0.002°
• Cell volume: 1895.4 ± 0.3 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: 0.0745
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• 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: Yes
• Has Fobs: No