Information card for entry 2019579

Structure parameters

• Chemical name: Bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)
• Formula: C18 H16 Br2 Cl2 Cu N2 O4
• Calculated formula: C18 H16 Br2 Cl2 Cu N2 O4
• SMILES: C1c2c(O[Cu]3([N]=1CCO)[N](=Cc1c(c(cc(c1)Cl)Br)O3)CCO)c(cc(c2)Cl)Br
• Title of publication: Disentangling steric and electronic factors in monomeric bis(2-bromo-4-chloro-6-{[(2-hydroxyethyl)imino]methyl}phenolato-κ^2^<i>N</i>,<i>O</i>)copper(II)
• Authors of publication: Zabierowski, Piotr; Szklarzewicz, Janusz; Nitek, Wojciech
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 659 - 661
• a: 13.1298 ± 0.0006 Å
• b: 4.6502 ± 0.0001 Å
• c: 16.957 ± 0.002 Å
• α: 90°
• β: 90.977 ± 0.009°
• γ: 90°
• Cell volume: 1035.18 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0329
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes