Information card for entry 7251345

Structure parameters

• Formula: C76 H55 Br5 N12 Ni2 O5
• Calculated formula: C76 H55 Br5 N12 Ni2 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: 11.6985 ± 0.0011 Å
• b: 21.9295 ± 0.0018 Å
• c: 14.1729 ± 0.0013 Å
• α: 90°
• β: 106.199 ± 0.003°
• γ: 90°
• Cell volume: 3491.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No