Information card for entry 2021318

Structure parameters

• Chemical name: Bis(μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^)bis[(2,2'-biquinoline-κ^2^<i>N</i>,<i>N</i>')(dicyanamido-κ<i>N</i>^1^)copper(II)]
• Formula: C44 H24 Cu2 N16
• Calculated formula: C44 H24 Cu2 N16
• SMILES: [Cu]12([N]#CN=C=N[Cu]3([N]#CN=C=N2)(N=C=NC#N)[n]2c(ccc4c2cccc4)c2[n]3c3ccccc3cc2)(N=C=NC#N)[n]2c3ccccc3ccc2c2[n]1c1c(cccc1)cc2
• Title of publication: Low-dimensional compounds containing cyanido groups. Part XXXV. Structure, spectral, thermal and magnetic properties of a binuclear Cu^II^‒biquinoline complex with bridging and terminal dicyanamide ligands
• Authors of publication: Potočňák, Ivan; Bukrynov, Oleksandr; Ráczová, Katarína; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal; Štarha, Pavel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 9.5158 ± 0.0005 Å
• b: 9.6393 ± 0.0004 Å
• c: 11.0824 ± 0.0007 Å
• α: 88.441 ± 0.004°
• β: 71.611 ± 0.005°
• γ: 81.106 ± 0.004°
• Cell volume: 952.78 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes