Information card for entry 7252085

Structure parameters

• Formula: C6 H6 Br2 Cl2 N4 Zn
• Calculated formula: C6 H6 Br2 Cl2 N4 Zn
• Title of publication: Structure–biological activity relationships in a zinc(ii) pyrazole halide complex [ZnCl2(η1-4BrPz)2] via noncovalent interactions, molecular docking, and antimicrobial studies
• Authors of publication: Khlifi, Houyem; Ben Hamadi, Naoufel; Mhadhbi, Noureddine; Sánchez-Coronilla, Antonio; Hamden, Khaled; Guesmi, Ahlem; Khezami, Lotfi; Wahbi, Hajir; Naïli, Houcine
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 30614 - 30632
• a: 21.3691 ± 0.0003 Å
• b: 4.0847 ± 0.0001 Å
• c: 14.2396 ± 0.0002 Å
• α: 90°
• β: 109.475 ± 0.002°
• γ: 90°
• Cell volume: 1171.81 ± 0.04 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No