Information card for entry 2235551

Structure parameters

• Chemical name: <i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]
• Formula: C36 H27 Cl8 Cu2 N4 O4
• Calculated formula: C36 H27 Cl8 Cu2 N4 O4
• SMILES: [Cu]123Oc4c(Cl)cc(Cl)cc4C=[N]2CCCC[N]2[Cu]4(Oc5c(C=2)cc(Cl)cc5Cl)Oc2c(Cl)cc(cc2C=[N]4CCCC[N]3=Cc2cc(Cl)cc(c2O1)Cl)Cl
• Title of publication: <i>catena</i>-Poly[{μ~3~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}{μ~2~-4,4',6,6'-tetrachloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato}dicopper(II)]
• Authors of publication: Kia, Reza; Kargar, Hadi; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m999 - m1000
• a: 26.6927 ± 0.0016 Å
• b: 7.7775 ± 0.0004 Å
• c: 18.6689 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3875.7 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes