Information card for entry 1566270

Structure parameters

• Formula: C20 H32 Cu Mo2 N8 O7
• Calculated formula: C20 H32 Cu Mo2 N8 O7
• SMILES: [Cu]([n]1cn(cc1)CC)([n]1cn(cc1)CC)([n]1cn(cc1)CC)[n]1cn(cc1)CC.[Mo](=O)(=O)([O-])O[Mo](=O)(=O)[O-]
• Title of publication: Imidazole-Dependent Assembly of Copper Polymolybdate Frameworks for One-Pot Sulfide Oxidation and C–H Activation
• Authors of publication: Huang, Xianqiang; Cui, Yanan; Liu, Gang; Wang, Haitao; Ren, Junyu; Zhang, Yalin; Shen, Guodong; Lv, Lingling; Wang, Huai-Wei; Chen, Yi-Fa
• Journal of publication: Energy & Fuels
• Year of publication: 2022
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 1665 - 1675
• a: 8.8009 ± 0.0007 Å
• b: 9.6826 ± 0.0008 Å
• c: 10.4994 ± 0.0009 Å
• α: 112.804 ± 0.003°
• β: 93.996 ± 0.001°
• γ: 114.554 ± 0.003°
• Cell volume: 721.23 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No