Information card for entry 7244134

Structure parameters

• Formula: C10 H12 Cu Mo4 N4 O13
• Calculated formula: C10 H12 Cu Mo4 N4 O13
• 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: 7.388 ± 0.0005 Å
• b: 10.9847 ± 0.0007 Å
• c: 12.672 ± 0.0009 Å
• α: 84.161 ± 0.001°
• β: 80.99 ± 0.001°
• γ: 73.956 ± 0.001°
• Cell volume: 974.29 ± 0.11 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No