Information card for entry 2212319

Structure parameters

• Chemical name: poly[tetrakis(μ-2,4'-bipyridine-κ^2^N:N')(μ~4~-β-octamolybdato- κ^4^-O:O':O'':O''')tetracopper(I)]
• Formula: C40 H32 Cu4 Mo8 N8 O26
• Calculated formula: C40 H32 Cu4 Mo8 N8 O26
• SMILES: [Cu][n]1c(cccc1)c1cc[n](cc1)[Cu][n]1ccc(cc1)c1[n](cccc1)[Cu][n]1c(cccc1)c1cc[n](cc1)[Cu][n]1ccc(c2ncccc2)cc1.O=[Mo]123([O]456[Mo]789(=O)[O]1[Mo]1%10(=O)([O]3[Mo]3%115(=O)[O]581[Mo](O[Mo]15([O]3[Mo]6(O[Mo]4(O2)(=O)(O7)=O)(=O)([O]91)=O)(=O)=O)(=O)(O%10)(O%11)=O)=O)=O
• Title of publication: The 3,4-connected layered hybrid oxide poly[tetrakis(μ-2,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(μ~4~-β-octamolybdato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')tetracopper(I)]
• Authors of publication: Ochalek, Catherine E.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m621 - m624
• a: 10.631 ± 0.002 Å
• b: 10.948 ± 0.002 Å
• c: 12.701 ± 0.003 Å
• α: 99.427 ± 0.003°
• β: 114.082 ± 0.003°
• γ: 100.871 ± 0.003°
• Cell volume: 1276.7 ± 0.5 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: 0.0271
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes