Information card for entry 7206937

Structure parameters

• Formula: C100 H80 Cu6 N20 O39 P W11
• Calculated formula: C100 H80 Cu6 N20 O39 P W11
• SMILES: [W]1234(O[W]567(O[W]89%10(O[Cu]%11%12%13O[W]%14%15([O]9%12=P9%12[O]%16%17[W]%18(O8)(O[W]8%16(O[W]%16%19(O[W]%20([O]9%16[W](O[W](O%11)(O5)(O1)([O]27%12)=O)(O%20)(=O)(O%13)O%19)(O%14)(O[W]%17(O%15)(=O)(O8)O%18)=O)(O4)=O)(O3)=O)(O6)=O)(=O)O%10)=O)=O)=O.[Cu]12([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.[Cu]12([n]3c(c4cccc[n]14)cccc3)[n]1c(c3cccc[n]23)cccc1.[Cu]12([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1cccc[n]21.[Cu]12([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1cccc[n]21.[Cu]12([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21
• Title of publication: New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge
• Authors of publication: Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1049
• a: 27.84 ± 0.006 Å
• b: 21.605 ± 0.004 Å
• c: 20.145 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12117 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1737
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No