Information card for entry 2236692

Structure parameters

• Chemical name: (Acetonitrile-1κ<i>N</i>)[μ-<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-\ carboxamidato-1:2κ^5^<i>N</i>,<i>N</i>',<i>N</i>'':<i>O</i>,<i>O</i>']\ [<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato- 2κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']bis(trifluoromethanesulfonato-\ 1κ<i>O</i>)dicopper(II)
• Formula: C28 H19 Cu2 F6 N7 O10 S2
• Calculated formula: C28 H19 Cu2 F6 N7 O10 S2
• SMILES: [Cu]123([n]4ccccc4C(=O)N1C(=O)c1[n]2cccc1)([O]=C1c2[n]([Cu]4([n]5c(C(N14)=[O]3)cccc5)([N]#CC)OS(=O)(=O)C(F)(F)F)cccc2)OS(=O)(=O)C(F)(F)F
• Title of publication: Two coordination modes of Cu^II^ in a binuclear complex with <i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidate ligands
• Authors of publication: Campos-Gaxiola, José J.; Morales-Morales, David; Höpfl, Herbert; Parra-Hake, Miguel; Reyes-Martínez, Reyna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1280 - m1281
• a: 8.9726 ± 0.0007 Å
• b: 10.0569 ± 0.0008 Å
• c: 18.3689 ± 0.0015 Å
• α: 82.573 ± 0.001°
• β: 83.802 ± 0.001°
• γ: 82.222 ± 0.001°
• Cell volume: 1621.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes