Information card for entry 4307716

Structure parameters

• Formula: C22 H23 Al Cu2 Mo6 N4 O28
• Calculated formula: C22 H23 Al Cu2 Mo6 N4 O28
• SMILES: [Cu]12([n]3ccccc3c3cccc[n]13)([O]=[Mo]134([OH]5[Al]6789[OH]%10[Mo]5(O3)([OH][Mo]3%10([OH]6[Mo]5([OH]7[Mo]6([OH]8[Mo]([OH]19)(O6)(O4)(=O)=O)(O5)(=O)=O)(O3)(=O)=O)(=O)=O)(=O)=O)=O)[O]=C1C(=[O][Cu]3([n]4c(cccc4)c4cccc[n]34)O1)O2
• Title of publication: Organic-Inorganic Hybrids Constructed of Anderson-Type Polyoxoanions and Oxalato-Bridged Dinuclear Copper Complexes
• Authors of publication: Ruige Cao; Shuxia Liu; Linhua Xie; Yibing Pan; Jianfang Cao; Yuanhang Ren; Lin Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3541 - 3547
• a: 14.2454 ± 0.0008 Å
• b: 26.2933 ± 0.0014 Å
• c: 10.2411 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3835.9 ± 0.4 ų
• Cell temperature: 273 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No