Information card for entry 7244131

Structure parameters

• Formula: C20 H36 Mo6 N8 Ni2 O30 Te
• Calculated formula: C20 H36 Mo6 N8 Ni2 O30 Te
• Title of publication: Five POM-based compounds modified by mono- and bis-triazole derivatives: photocatalytic, electrochemical and supercapacitor properties
• Authors of publication: Xu, Xi; Zhang, Yanping; Ying, Jun; Jin, Liang; Tian, Aixiang; Wang, Xiuli
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 14.0968 ± 0.0004 Å
• b: 10.5774 ± 0.0003 Å
• c: 15.0772 ± 0.0005 Å
• α: 90°
• β: 109.13°
• γ: 90°
• Cell volume: 2123.98 ± 0.11 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No