Information card for entry 7246658

Structure parameters

• Formula: C6 H9 Cu2 Mo4 N7 O17
• Calculated formula: C6 H9 Cu2 Mo4 N7 O17
• Title of publication: New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors
• Authors of publication: Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 3025 - 3032
• a: 10.6104 ± 0.0019 Å
• b: 15.5334 ± 0.0019 Å
• c: 14.834 ± 0.002 Å
• α: 90°
• β: 101.287 ± 0.003°
• γ: 90°
• Cell volume: 2397.6 ± 0.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• 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: No
• Has Fobs: No