Information card for entry 2016632

Structure parameters

• Chemical name: Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}- 1κ^3^N,N',N'';3κ^3^N,N',N''-di-μ-chlorido-trichlorido-1λCl,2κCl,3κCl- copper(I)dicopper(II)
• Formula: C42 H34 Cl5 Cu3 F4 N6
• Calculated formula: C42 H34 Cl5 Cu3 F4 N6
• SMILES: [Cu]12(Cl)([Cl][Cu](Cl)[Cl][Cu]34(Cl)[n]5c(cccc5C(=[N]3c3ccc(F)cc3)C)C(=[N]4c3ccc(F)cc3)C)[n]3c(cccc3C(=[N]1c1ccc(F)cc1)C)C(=[N]2c1ccc(F)cc1)C
• Title of publication: Bis{2,6-bis[1-(4-fluorophenylimino)ethyl]pyridine}-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';3κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-di-μ-chlorido-1:2κ^2^<i>Cl</i>:<i>Cl</i>;2:3κ^2^<i>Cl</i>:<i>Cl</i>-trichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>,3κ<i>Cl</i>-2-copper(I)-1,3-dicopper(II)
• Authors of publication: Özdemir, Namık; Dinçer, Muharrem; Dayan, Osman; Çetinkaya, Bekir
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m224 - m227
• a: 18.4646 ± 0.0009 Å
• b: 9.093 ± 0.0003 Å
• c: 28.0986 ± 0.0014 Å
• α: 90°
• β: 112.774 ± 0.004°
• γ: 90°
• Cell volume: 4349.9 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes