Information card for entry 7220354

Structure parameters

• Formula: C6 H32 Cu3 Mo8 N12 O37
• Calculated formula: C6 H24 Cu3 Mo8 N12 O37
• Title of publication: Polyoxometalate-directed assembly of various multinuclear metal‒organic complexes with 4-amino-1,2,4-triazole and selective photocatalysis for organic dye degradation
• Authors of publication: Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Liu, Guo-Cheng; Kan, Xiao-Min; Xu, Na
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 4179
• a: 10.0148 ± 0.0007 Å
• b: 19.0431 ± 0.0014 Å
• c: 21.532 ± 0.0015 Å
• α: 90°
• β: 102.757 ± 0.001°
• γ: 90°
• Cell volume: 4005.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0426
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No