Information card for entry 7060009

Structure parameters

• Formula: C20 H27 Cu Mo12 N8 O41 P
• Calculated formula: C20 H26.9998 Cu Mo12 N8 O41 P
• Title of publication: Five Keggin-based compounds modified by bis- and mono-[1,3,4]triazole ligands: characterization, and selective photocatalytic and electrochemical properties
• Authors of publication: Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18074 - 18083
• a: 15.9377 ± 0.0009 Å
• b: 15.5396 ± 0.0008 Å
• c: 21.5233 ± 0.0012 Å
• α: 90°
• β: 109.338 ± 0.001°
• γ: 90°
• Cell volume: 5029.8 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No