Information card for entry 2241027

Structure parameters

• Chemical name: bis[2-(benzothiazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]copper(II)
• Formula: C26 H16 Cu N2 O2 S2
• Calculated formula: C26 H16 Cu N2 O2 S2
• SMILES: [Cu]12([n]3c4ccccc4sc3c3c(cccc3)O1)[n]1c3ccccc3sc1c1c(cccc1)O2
• Title of publication: Crystal structure of bis[2-(benzothiazol-2-yl)phenolato-κ^2^<i>N</i>,<i>O</i>]copper(II)
• Authors of publication: Kim, Namhun; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: m173 - m174
• a: 7.8177 ± 0.0017 Å
• b: 21.195 ± 0.005 Å
• c: 12.495 ± 0.003 Å
• α: 90°
• β: 91.077 ± 0.002°
• γ: 90°
• Cell volume: 2070 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes