Information card for entry 2020547

Structure parameters

• Common name: Cu‒Ni‒Cu complex
• Chemical name: Bis(dicyanamido-1κ<i>N</i>^1^)bis(dimethyl sulfoxide)-2κ<i>O</i>,3κ<i>O</i>-bis{μ-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>';1:3κ^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-dicopper(II)nickel(II)
• Formula: C42 H44 Cu2 N10 Ni O6 S2
• Calculated formula: C42 H44 Cu2 N10 Ni O6 S2
• Title of publication: Designing a heterotrinuclear CuII—NiII—CuIIcomplex from a mononuclear CuIISchiff base precursor with dicyanamide as a coligand: synthesis, crystal structure, thermal and photoluminescence properties
• Authors of publication: Hopa, Cigdem; Cokay, Ismail
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• a: 19.196 ± 0.003 Å
• b: 10.2943 ± 0.0015 Å
• c: 22.347 ± 0.003 Å
• α: 90°
• β: 97.998 ± 0.007°
• γ: 90°
• Cell volume: 4373 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes