Information card for entry 7251346

Structure parameters

• Formula: C36.29 H25.85 Br2 N8.15 Ni O2.71
• Calculated formula: C36.292 H25.854 Br2 N8.146 Ni O2.708
• Title of publication: Nickel(II) Complexes of Halogen-Containing NNO Donor Aroylhydrazones as Potential Putative Binders against SARS Cov-2 M pro
• Authors of publication: Maniyampara, Pramod Kumar; M, BHAGIYALAKSHMI; Kurup, Prathapachandra M. R.; Potti, Manoj Easwaran; Damodaran, Krishna K.; Maheswaran , Sithambaresan; Hussain, Firasat
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 10.3827 ± 0.0002 Å
• b: 13.1468 ± 0.0003 Å
• c: 13.822 ± 0.0003 Å
• α: 71.199 ± 0.002°
• β: 80.71 ± 0.002°
• γ: 68.42 ± 0.002°
• Cell volume: 1658.86 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0564
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No