Information card for entry 2224207

Structure parameters

• Chemical name: Bis[μ-4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4- diyldimethylene)diphenolato]dicopper(II)
• Formula: C36 H32 Cl8 Cu2 N4 O4
• Calculated formula: C36 H32 Cl8 Cu2 N4 O4
• SMILES: c12c(cc(cc1C[N]13CC[N]4(CC1)[Cu]13(O2)[O](c2c(C4)cc(cc2Cl)Cl)[Cu]234[N]5(Cc6c(c(cc(c6)Cl)Cl)O3)CC[N]2(CC5)Cc2cc(cc(c2[O]14)Cl)Cl)Cl)Cl
• Title of publication: Bis[μ-4,4',6,6'-tetrachloro-2,2'-(piperazine-1,4-diyldimethylene)diphenolato]dicopper(II)
• Authors of publication: Kubono, Koji; Noshita, Chisato; Tani, Keita; Yokoi, Kunihiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1685 - m1686
• a: 20.1772 ± 0.0018 Å
• b: 15.3901 ± 0.0018 Å
• c: 15.1397 ± 0.0014 Å
• α: 90°
• β: 121.14 ± 0.006°
• γ: 90°
• Cell volume: 4023.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes