Information card for entry 1562567

Structure parameters

• Formula: C24 H92 Cu9 Ge2 N16 Na2 O76 W18
• Calculated formula: C24 H80 Cu9 Ge2 N16 Na2 O76 W18
• SMILES: [Na]123([OH2])[O]45[W]678([O]9%10[W]%11%12(=O)(O[W]%139(O[W]9%14%15(O[W]%16%17(O%11)(O[W]%11%18(O%12)(=O)O[W]%12%19%20([O]%21%18[W](O%11)(O8)(=O)([O]8%11[Cu]%18%22%23%24[O]%19[Na]%19%25([O]%20[W]%20([O]9%16[Ge]%10%21[O]9%18[Cu]%10%16([OH2])([O]%15[Cu]%15%18([O]%13[Cu]%13%2159[O]%16%18[W]59(O[W]%16%18(O[W]%26%27(=O)O[W]%28%29(O[Ge]%30%31O[W](O%16)(O9)(=O)([O]1%13)[O]2[W]12(O%30)(O[W](O%27)(O%18)(=O)O[W](=O)(O1)([O]([Cu]18([O]%22%29)[NH2]C[C@H]([NH2]1)C)[Cu]4%11([OH2])([O]32)[O]%24%21%31)O%28)=O)(=O)O[W](O%26)(=O)([O]%23%25%10)O5)=O)=O)[NH2]C[C@@H]([NH2]%15)C)[O]%19%20)(O%17)(O%14)=O)[OH2])O%12)=O)=O)=O)(=O)O7)O6)=O.[Cu]12([NH2][C@H](C[NH2]1)C)[NH2][C@@H](C[NH2]2)C.O.O.[Cu]12([NH2]C[C@H]([NH2]2)C)[NH2]C[C@H]([NH2]1)C.O.O.[Cu]12([NH2]C[C@@H]([NH2]2)C)[NH2]C[C@@H]([NH2]1)C
• Title of publication: Synthesis, characterization, magnetic and electrochemical properties of a new 3D hexa-copper-substituted germanotungstate
• Authors of publication: Li, Yanzhou; Luo, Jie; Zhang, Yanting; Zhao, Junwei; Chen, Lijuan; Ma, Pengtao; Niu, Jingyang
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 205
• Pages of publication: 82 - 90
• a: 13.5657 ± 0.001 Å
• b: 31.929 ± 0.003 Å
• c: 12.1817 ± 0.0009 Å
• α: 90°
• β: 113.842 ± 0.001°
• γ: 90°
• Cell volume: 4826.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0871
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No