Information card for entry 4518239

Structure parameters

• Formula: C46 H56 Mo5 N8 Ni2 O34 P2
• Calculated formula: C46 H56 Mo5 N8 Ni2 O34 P2
• Title of publication: Surface Atom Regulation on Polyoxometalate Electrocatalyst for Simultaneous Low-Voltage H₂ Production and Phenol Degradation.
• Authors of publication: Zheng, Yang; Xu, Xinxin
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 11.6913 ± 0.0003 Å
• b: 21.5989 ± 0.0005 Å
• c: 26.9587 ± 0.001 Å
• α: 90°
• β: 93.36 ± 0.003°
• γ: 90°
• Cell volume: 6795.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No