Information card for entry 2013560

Structure parameters

• Common name: Bis(μ-di-2-pyridylamine 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate
• Chemical name: Bis(μ-di-2-pyridylamine 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate
• Formula: C28 H22 Cu2 F6 N8 O6
• Calculated formula: C28 H22 Cu2 F6 N8 O6
• SMILES: c1cccc2n1=[O][Cu]1(N2c2cccc[n]2[Cu]2(N(c3cccc[n]3=[O]2)c2cccc[n]12)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F.N#CC.CC#N
• Title of publication: Bis(μ-di-2-pyridylaminato 1-oxide)bis[(trifluoroacetato)copper(II)] acetonitrile disolvate
• Authors of publication: Zeng, Xi-Rui; Fang, Xiao-Niu; Peng, Shie-Ming; Lin, Hsiu-Mei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m497 - m498
• a: 21.203 ± 0.004 Å
• b: 7.468 ± 0.002 Å
• c: 22.123 ± 0.005 Å
• α: 90°
• β: 108.947 ± 0.015°
• γ: 90°
• Cell volume: 3313.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No