Information card for entry 2020425

Structure parameters

• Chemical name: Bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)
• Formula: C32 H22 Cu N4 O2
• Calculated formula: C32 H22 Cu N4 O2
• SMILES: c1ccc2c3c(ccc2)N(C(=O)c2ccccc2)[Cu]2([n]13)[n]1cccc3c1c(ccc3)N2C(=O)c1ccccc1
• Title of publication: X-ray and DFT-calculated structures of bis[<i>N</i>-(quinolin-8-yl)benzamidato-κ^2^<i>N</i>,<i>N</i>']copper(II)
• Authors of publication: Chatturgoon, Teshica; Akerman, Matthew P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 234 - 238
• a: 9.7987 ± 0.0004 Å
• b: 10.3849 ± 0.0005 Å
• c: 13.9923 ± 0.0006 Å
• α: 79.948 ± 0.002°
• β: 69.724 ± 0.002°
• γ: 66.911 ± 0.002°
• Cell volume: 1227.39 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes