Information card for entry 7064387

Structure parameters

• Formula: C34 H36 Cl N4 Ni O7.5
• Calculated formula: C34 H36 Cl N4 Ni O7.5
• Title of publication: Nickel(II)-Flavonolate Complexes of Tetradentate 4N Donor Ligands as Enzyme-Substrate Models of Quercetin-2,4-Dioxygenase: Role of Ligand Steric and Electronic Properties on Dioxygenolysis
• Authors of publication: Devaraj , Karthickram; Bhuvanesh, Nattamai; Sundaravel, Karuppasamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 8.7243 ± 0.0003 Å
• b: 13.6695 ± 0.0004 Å
• c: 13.6886 ± 0.0005 Å
• α: 85.014 ± 0.003°
• β: 79.917 ± 0.003°
• γ: 87.367 ± 0.003°
• Cell volume: 1600.38 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0781
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No