Information card for entry 7062624

Structure parameters

• Formula: C22 H31.4 Cl Cu Mo12 N8 O47.7 P
• Calculated formula: C22 H26 Cl Cu Mo12 N8 O45 P
• Title of publication: Polyoxometalate-based metal–organic supramolecular architectures derived from two new pyrimidine-amide ligands as supercapacitors and multifunctional electrochemical sensors
• Authors of publication: Wang, Xiu-Li; Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Chen, Ke-Ke
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 17051 - 17059
• a: 12.8989 ± 0.0004 Å
• b: 14.0884 ± 0.0004 Å
• c: 18.8508 ± 0.0005 Å
• α: 111.27 ± 0.001°
• β: 91.299 ± 0.001°
• γ: 113.707 ± 0.001°
• Cell volume: 2865.34 ± 0.15 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No