Information card for entry 8105804

Structure parameters

• Formula: C44 H38 Cu N4 O4
• Calculated formula: C44 H38 Cu N4 O4
• SMILES: c1ccccc1CO/N=C(/c1ccc(cc1)[N]1[Cu]2([N](=Cc3c(cccc3)O2)c2ccc(cc2)C(=N\OCc2ccccc2)\C)Oc2c(C=1)cccc2)C
• Title of publication: Synthesis and crystal structure of bis{((E)-((4-((E)-1-(benzyloxyimino)ethyl)phenyl)imino)methyl)-2-phenolato-κ2 N,O}copper(II), C44H38CuN4O4
• Authors of publication: Huang, Jing; Ma, Jin-Xia; Wei, Ping; Zhao, Ji-Xing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 635 - 637
• a: 8.0172 ± 0.0013 Å
• b: 10.9003 ± 0.0017 Å
• c: 42.154 ± 0.008 Å
• α: 90°
• β: 94.749 ± 0.006°
• γ: 90°
• Cell volume: 3671.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No