Information card for entry 2243222

Structure parameters

• Chemical name: Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)copper(II)
• Formula: C28 H18 Cl4 Cu N4 O2
• Calculated formula: C28 H18 Cl4 Cu N4 O2
• SMILES: c12c(C=[N]([Cu]3(O2)[N](=Cc2c(cccc2)O3)/N=C/c2c(Cl)cccc2Cl)/N=C/c2c(Cl)cccc2Cl)cccc1
• Title of publication: Crystal structure, Hirshfeld surface analysis and computational study of bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue
• Authors of publication: Manawar, Rohit B.; Mamtora, Mayank J.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 53 - 61
• a: 8.13 ± 0.0007 Å
• b: 8.5072 ± 0.0011 Å
• c: 9.7386 ± 0.0013 Å
• α: 83.24 ± 0.004°
• β: 87.646 ± 0.003°
• γ: 81.533 ± 0.004°
• Cell volume: 661.39 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes