Information card for entry 2212877

Structure parameters

• Chemical name: poly[(μ-β-octamolybdato-κ^2^O:O)bis[μ-4-(2-pyridyl)pyridinium-3-olato- κ^3^N,O:O]bis[4-(2-pyridyl)pyridinium-3-olato-κ^2^N:O]dicopper(II)]
• Formula: C40 H32 Cu2 Mo8 N8 O30
• Calculated formula: C40 H32 Cu2 Mo8 N8 O30
• SMILES: [n]12[Cu]3(Oc4c(c1cccc2)cc[nH+]c4)[n]1ccccc1c1c(c[nH+]cc1)O3.O=[Mo]123([O]4[Mo]56([O]2[Mo]278(=O)O[Mo]9(O5)(O[Mo]57(=O)([O]7[Mo]%10%11(O[Mo]%12(O1)(=O)([O]32%10[Mo]4([O]7%11)(=O)(O%12)[O]5689)=O)(=O)=O)=O)(=O)=O)(=O)=O)=O.c1cccc2c3c(O[Cu]4([n]12)[n]1ccccc1c1c(O4)c[nH+]cc1)c[nH+]cc3
• Title of publication: A hybrid bimetallic complex from regioselective <i>in situ</i> ligand oxidation: poly[(μ-β-octamolybdato-κ^2^<i>O</i>:<i>O</i>)bis[μ-4-(2-pyridyl)pyridinium-3-olato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>]bis[4-(2-pyridyl)pyridinium-3-olato-κ^2^<i>N</i>,<i>O</i>]dicopper(II)]
• Authors of publication: Springsteen, Caleb H.; Rarig Jr, Randy S.; Zubieta, Jon; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m933 - m935
• a: 9.962 ± 0.0013 Å
• b: 10.1592 ± 0.0013 Å
• c: 13.7049 ± 0.0017 Å
• α: 100.607 ± 0.002°
• β: 107.197 ± 0.002°
• γ: 102.838 ± 0.002°
• Cell volume: 1244.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1284
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes