Information card for entry 4030871

Structure parameters

• Formula: C20 H16 Cu N2 O3
• Calculated formula: C20 Cu N2 O3
• SMILES: [Cu]123[N](=Cc4c(O2)cccc4)c2ccccc2[N]3=Cc2ccccc2O1.O
• Title of publication: Molecular structures of two cu5II) complexes with tetradentate imine-phenols
• Authors of publication: Yao, H. H.; Huang, W. T.; Lo, J. M.; Liao, F. L.; Wang, S. L.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 34
• Pages of publication: 355 - 366
• a: 31.6778 ± 0.0002 Å
• b: 31.6778 ± 0.0002 Å
• c: 9.0834 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7893.85 ± 0.19 ų
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No