Information card for entry 2019973

Structure parameters

• Chemical name: <i>catena</i>-Poly[[copper(I)-μ~2~-(prop-2-en-1-yl)bis[pyridin-2-yl)methylidene]amine-κ^5^<i>N</i>,<i>N</i>',<i>N</i>'':<i>C</i>^2^,<i>C</i>^3^] perchlorate acetonitrile monosolvate]
• Formula: C17 H20 Cl Cu N4 O4
• Calculated formula: C17 H20 Cl Cu N4 O4
• SMILES: [Cu]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)CC=C)[CH](=[CH2]3)C[N]12[Cu]([n]3ccccc3C1)[n]1c(C2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Structural studies of (prop-2-en-1-yl)bis[(pyridin-2-yl)methylidene]amine hetero-scorpionate copper complexes
• Authors of publication: Bussey, Katherine A.; Cavalier, Annie R.; Connell, Jennifer R.; Mraz, Margaret E.; Oshin, Kayode D.; Pintauer, Tomislav; Oliver, Allen G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• a: 10.2961 ± 0.0005 Å
• b: 10.7435 ± 0.0006 Å
• c: 17.5025 ± 0.0009 Å
• α: 90°
• β: 94.932 ± 0.003°
• γ: 90°
• Cell volume: 1928.89 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0388
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes