Information card for entry 2227657

Structure parameters

• Chemical name: Aqua{4,4',6,6'-tetrafluoro-2,2'-[(piperazine-1,4- diyl)dimethylene]diphenolato}copper(II)
• Formula: C18 H18 Cu F4 N2 O3
• Calculated formula: C18 H18 Cu F4 N2 O3
• SMILES: [Cu]123(Oc4c(F)cc(F)cc4C[N]42CC[N]3(CC4)Cc2cc(F)cc(F)c2O1)[OH2]
• Title of publication: Aqua{4,4',6,6'-tetrafluoro-2,2'-[(piperazine-1,4-diyl)dimethylene]diphenolato}copper(II)
• Authors of publication: Kubono, Koji; Tsuno, Yuki; Tani, Keita; Yokoi, Kunihiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1397 - m1398
• a: 8.0157 ± 0.0017 Å
• b: 9.6873 ± 0.001 Å
• c: 11.7693 ± 0.0012 Å
• α: 83.743 ± 0.009°
• β: 87.763 ± 0.012°
• γ: 74.42 ± 0.011°
• Cell volume: 875 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes