Information card for entry 4518123

Structure parameters

• Formula: C48 H60 Cu2 N30 O46 Si W12
• Calculated formula: C48 H60 Cu2 N30 O46 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: 12.2209 ± 0.0008 Å
• b: 14.4974 ± 0.0009 Å
• c: 14.8694 ± 0.001 Å
• α: 111.642 ± 0.001°
• β: 103.266 ± 0.001°
• γ: 101.58 ± 0.001°
• Cell volume: 2261.7 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.085
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No