Information card for entry 7251981

Structure parameters

• Formula: C18 H20 Cl4 N2 O2 Zn
• Calculated formula: C18 H20 Cl4 N2 O2 Zn
• Title of publication: Integrated structural, vibrational, thermal, and optical characterization of a zinc-based organic–inorganic hybrid with DFT and molecular docking insights into its biological properties
• Authors of publication: Khlifi, Houyem; Alghamdi, Mashael A.; Tababi, Intissar; Edziri, Hayet; Melliti, Marwa; Guesmi, Ahlem; Nasrallah, Hossam H.; Mhadhbi, Noureddine; Ben Hamadi, Naoufel; Naïli, Houcine
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 24964 - 24985
• a: 11.7276 ± 0.0003 Å
• b: 9.8806 ± 0.0002 Å
• c: 18.3798 ± 0.0004 Å
• α: 90°
• β: 101.355 ± 0.002°
• γ: 90°
• Cell volume: 2088.08 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No