Information card for entry 7246657

Structure parameters

• Formula: C12 H22 Cr Cu4 Mo6 N14 O32
• Calculated formula: C12 H22 Cr Cu4 Mo6 N14 O32
• 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: 10.8674 ± 0.0007 Å
• b: 13.4431 ± 0.0008 Å
• c: 17.3938 ± 0.0011 Å
• α: 87.805 ± 0.002°
• β: 78.109 ± 0.001°
• γ: 73.839 ± 0.001°
• Cell volume: 2387.8 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• 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