Information card for entry 7003083

Structure parameters

• Formula: C16 H59 As Co4 Mo8 N12 O42 W4
• Calculated formula: C16 H52 As Co4 Mo8 N12 O42 W4
• SMILES: [W]1234([O]5[W]678([O]1[Co]19%10([O]%11[Mo]%12%13([O]%14[Mo]%15%16%11(O[Mo]%11%17%18([O]1[Mo]1%19([O]%11[Co]%11%20%21([O]([Mo]%22%23(O1)(O2)=O)[Mo]12%24([O]%22[Co]5%22%25([O]([Mo]5%26(O6)(O%12)=O)[Mo]6%12([O]5[Co]5%27%14([O]%14[W]%28([O]%11[W]%14(=O)([O]16=[As]([O]3%19%23)([O]7%13%26)[O]%15%17%28)(O2)O%12)(O%16)(O%18)=O)[NH2]CC[NH]5CC[NH2]%27)(O%24)=O)[NH2]CC[NH]%22CC[NH2]%25)=O)[NH](CC[NH2]%20)CC[NH2]%21)(O4)=O)=O)=O)(O8)=O)[NH](CC[NH2]9)CC[NH2]%10)=O)=O.O.O
• Title of publication: Hydrothermal synthesis and structural characterization of the first mixed molybdenum‒tungsten capped-keggin polyoxometal complex: {[Co(dien)]4[(AsVO4)MoV8WVI4O33(µ2‒OH)3]}·2H2O
• Authors of publication: Yu, Hai-Hui; Cui, Xiao-Bing; Cui, Ji-Wen; Kong, Li; Duan, Wei-Jie; Xu, Ji-Qing; Wang, Tie-Gang
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 195 - 197
• a: 11.906 ± 0.002 Å
• b: 13.363 ± 0.003 Å
• c: 19.406 ± 0.004 Å
• α: 93.89 ± 0.03°
• β: 94.5 ± 0.03°
• γ: 109.7 ± 0.03°
• Cell volume: 2883.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No