Information card for entry 7123757

Structure parameters

• Formula: C44 H134 Fe8 Mo N28 O113 W18
• Calculated formula: C44 H60 Fe8 Mo N28 O113 W18
• Title of publication: A novel polyoxometalate-based huge cluster Fe10P4W32 exhibiting prominent electrocatalytic activity for oxygen evolution reaction and third-order NLO properties
• Authors of publication: Jiang, Wei; Liu, Xiaomei; Liu, Lian; Shi, Jie; Cao, Jiapeng; Luo, Ximing; You, Wansheng; Xu, Yan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.929 ± 0.002 Å
• b: 31.857 ± 0.007 Å
• c: 19.576 ± 0.004 Å
• α: 90°
• β: 103.082 ± 0.003°
• γ: 90°
• Cell volume: 7246 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0752
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No