Information card for entry 7206938

Structure parameters

• Formula: C100 H80 B Cu5 N20 O40 W12
• Calculated formula: C100 H80 B Cu5 N20 O40 W12
• SMILES: [W]1234([O]56[W]78(O[W]9%10%11([O]%12%13[W]%14(O[W]%15%16([O]%17%18[W]%19%20(O[W]%21%22([O]%23([W]%24(O[W]%17(=O)(O[W]%12(O%14)(O%24)(=O)O9)(O%16)O%20)(O[W]%23(O7)(O%22)(O%10)=O)(=O)O%21)[B]6%13%18)(O[W]5(O8)(O%19)(=O)O1)=O)(O%15)=O)(O3)=O)(O4)(O%11)=O)=O)(O2)=O)=O.[Cu]12([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.[Cu]12([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.[Cu]12([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.[Cu]12([n]3ccccc3c3cccc[n]13)[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: 28.117 ± 0.002 Å
• b: 21.4312 ± 0.0016 Å
• c: 19.6445 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11837.4 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0857
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No