Information card for entry 7251350

Structure parameters

• Formula: C38 H27 Br2 N7 Ni O5
• Calculated formula: C38 H27 Br2 N7 Ni O5
• 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: 11.839 ± 0.0005 Å
• b: 22.1899 ± 0.001 Å
• c: 14.4233 ± 0.0007 Å
• α: 90°
• β: 107.183 ± 0.002°
• γ: 90°
• Cell volume: 3620 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1303
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No