Information card for entry 7011428

Structure parameters

• Formula: C40 H32 Cu2 Mo8 N8 O26
• Calculated formula: C40 H32 Cu2 Mo8 N8 O26
• SMILES: [Mo]123(O[Mo]45([O]6[Mo]789([O]%10[Mo]%11([O]147[Mo]14([O]%11[Mo]7%10([O]%1094[Mo]6([O]51)(=O)([O]([Mo]%10(O8)(=O)(O7)=O)[Cu]14([n]5ccccc5c5[n]1cccc5)[n]1ccccc1c1[n]4cccc1)=O)(=O)=O)(O2)=O)([O]3[Cu]12([n]3c(c4[n]1cccc4)cccc3)[n]1ccccc1c1[n]2cccc1)(=O)=O)=O)(=O)=O)(=O)=O
• Title of publication: Hydrothermal synthesis and structures of three new copper complexes: [{Cu(2,2'-bipy}2(β-Mo8O26)], [{Cu(py)3}2{Cu(py)2}2(α-Mo8O26)] and [Cu(py)2]4[(SO4)Mo12O36]Electronic supplementary information (ESl) available: ESR spectra of 1 and 3, IR spectra of 1‒3. See http://www.rsc.org/suppdata/dt/b1/b111480h/
• Authors of publication: Yang, Wenbin; Lu, Canzhong; Zhuang, Honghui
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2879
• a: 24.2245 ± 0.0005 Å
• b: 18.3315 ± 0.0001 Å
• c: 11.9118 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5289.69 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No