Information card for entry 2020404

Structure parameters

• Common name: Cu complex
• Chemical name: <i>catena</i>-Poly[[[μ~2~-<i>N</i>,<i>N</i>'-bis(2-oxidobenzylidene)-2,2-dimethylpropane-1,3-diamine-1:2κ^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>']dicopper]-di-μ-dicyanamido-1:2'κ^2^<i>N</i>^1^:<i>N</i>^5^;2:1'κ^2^<i>N</i>^1^:<i>N</i>^5^]
• Formula: C23 H20 Cu2 N8 O2
• Calculated formula: C23 H20 Cu2 N8 O2
• SMILES: [Cu]123([N]#CN=C=N[Cu]456[N]#CN=C=N[Cu]7([N]#CN=C=N4)(N=C=NC#N)[O]4[Cu]89[N](=Cc%10c(cccc%10)[O]87)CC(C)(C)C[N]9=Cc7c4cccc7)[N]4=Cc7c(cccc7)[O]2[Cu]2([N]#CN=C=N[Cu]7([N]#CN=C=N2)(N=C=NC#N)[O]2[Cu]89[N](=Cc%10c(cccc%10)[O]87)CC(C)(C)C[N]9=Cc7c2cccc7)(N=C=NC#[N][Cu]278[N](=Cc9c(cccc9)[O]75)CC(C)(C)C[N]2=Cc2c(cccc2)[O]86)[O]3c3c(C=[N]1CC(C4)(C)C)cccc3
• Title of publication: Synthesis, structural characterization and thermal properties of a new copper(II) one-dimensional coordination polymer based on bridging <i>N</i>,<i>N</i>'-bis(2-hydroxybenzylidene)-2,2-dimethylpropane-1,3-diamine and dicyanamide ligands
• Authors of publication: Hopa, Cigdem; Cokay, Ismail
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 149 - 154
• a: 10.114 ± 0.0003 Å
• b: 10.1578 ± 0.0004 Å
• c: 11.9844 ± 0.0004 Å
• α: 72.725 ± 0.002°
• β: 87.397 ± 0.002°
• γ: 78.487 ± 0.002°
• Cell volume: 1151.91 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes