Information card for entry 4518125

Structure parameters

• Formula: C54 H72 Cu2 N30 O46 Si W12
• Calculated formula: C54 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: 12.358 ± 0.005 Å
• b: 13.96 ± 0.005 Å
• c: 15.641 ± 0.005 Å
• α: 110.467 ± 0.005°
• β: 104.354 ± 0.005°
• γ: 96.738 ± 0.005°
• Cell volume: 2386.4 ± 1.5 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: 0.0776
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No