Information card for entry 2211193

Structure parameters

• Chemical name: Bis{μ:κ^2^,κ^2^-6,6'-bis[2-(2-pyridyl)ethyliminomethyl]-2,2'- bipyridine}dicopper(I) bis(hexafluorophosphate)
• Formula: C52 H48 Cu2 F12 N12 P2
• Calculated formula: C52 H48 Cu2 F12 N12 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1cc2c3cccc4[n]3[Cu]3([N](=C4)CCc4ncccc4)[n]4c(c5cccc6[n]5[Cu]5([n]2c(c1)C=[N]5CCc1ccccn1)[N](=C6)CCc1ccccn1)cccc4C=[N]3CCc1ccccn1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis{μ:κ^2^,κ^2^-6,6'-bis[2-(2-pyridyl)ethyliminomethyl]-2,2'-bipyridine}dicopper(I) bis(hexafluorophosphate)
• Authors of publication: Kennepohl, Dietmar; Thomas, Angela; McDonald, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2967 - m2969
• a: 13.6235 ± 0.0007 Å
• b: 16.6329 ± 0.0009 Å
• c: 23.8071 ± 0.0012 Å
• α: 90°
• β: 98.3298 ± 0.001°
• γ: 90°
• Cell volume: 5337.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes