Information card for entry 2213620

Structure parameters

• Chemical name: bis(2,2'-bipyridine N-oxide-κ^2^N,O)hexacosaoxocopper(II)molybdenum(IV)
• Formula: C40 H32 Cu2 Mo8 N8 O30
• Calculated formula: C40 H32 Cu2 Mo8 N8 O30
• SMILES: c1cccc2[n]1[Cu]1([O]=[Mo]345(O[Mo]67(O[Mo]89%10([O]4[Mo]4%11(=O)(=O)[O]5[Mo]5%12%13([O]%14[Mo]%15([O]%10[Mo]%14(O6)(=O)(=O)[O]379%12)([O]845[Mo](O%13)(O%11)(=O)(=O)O%15)(=O)=[O][Cu]45([n]6ccccc6c6ccccn6=[O]5)[n]5ccccc5c5n(cccc5)=[O]4)=O)=O)(=O)=O)=O)([O]=n3c(c4[n]1cccc4)cccc3)[O]=n1c2cccc1
• Title of publication: Bis(2,2'-bipyridine <i>N</i>-oxide-κ^2^<i>O</i>,<i>N</i>)copper(II) β-octamolybdate
• Authors of publication: Ji-Hong Yuan; Cheng Wang; Zhi-Yao Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1399 - m1399
• a: 10.821 ± 0.0017 Å
• b: 17.799 ± 0.002 Å
• c: 14.187 ± 0.003 Å
• α: 90°
• β: 100.166 ± 0.005°
• γ: 90°
• Cell volume: 2689.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes