Information card for entry 2243221

Structure parameters

• Chemical name: Bis(2-{[(2,6-dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II)
• Formula: C28 H18 Cl4 Co N4 O2
• Calculated formula: C28 H18 Cl4 Co N4 O2
• SMILES: [Co]12(Oc3c(cccc3)C=[N]1/N=C/c1c(Cl)cccc1Cl)Oc1c(cccc1)C=[N]2/N=C/c1c(Cl)cccc1Cl
• 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: 8.8137 ± 0.001 Å
• b: 10.4801 ± 0.0012 Å
• c: 15.0785 ± 0.0017 Å
• α: 85.684 ± 0.007°
• β: 77.984 ± 0.007°
• γ: 84.965 ± 0.007°
• Cell volume: 1354.7 ± 0.3 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: 0.079
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes