Information card for entry 4347318

Structure parameters

• Formula: C46 H100 Cu Mo6 N2 O28
• Calculated formula: C46 H100 Cu Mo6 N2 O28
• SMILES: C1C2(C[O]34[Cu]5678[O]91[Mo]1%10(=O)(O[Mo]%11%12([O]51CC1(C[O]57[Mo]3(=O)(O[Mo]34([O](C2)[Mo]9(O%10)(=O)(=O)[OH]63)(=O)=O)(=O)O[Mo]5(=O)([O]%11C1)(=O)[OH]8%12)C)(=O)=O)=O)C.C(CCC)[N+](CCCC)(CCCC)CCCC.CC(=O)O.C(CCC)[N+](CCCC)(CCCC)CCCC.CC(=O)O
• Title of publication: Controlled Triol-Derivative Bonding and Decoration Transformation on Cu-Centered Anderson-Evans Polyoxometalates.
• Authors of publication: Wang, Yang; Li, Bao; Qian, Hujun; Wu, Lixin
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4271 - 4277
• a: 11.547 ± 0.002 Å
• b: 13.564 ± 0.003 Å
• c: 13.645 ± 0.003 Å
• α: 115.01 ± 0.03°
• β: 91.46 ± 0.03°
• γ: 114.24 ± 0.03°
• Cell volume: 1714 ± 1 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: 0.0613
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No