Information card for entry 7063437

Structure parameters

• Formula: C20 H26 O10 S2 Zn
• Calculated formula: C20 H26 O10 S2 Zn
• Title of publication: A novel symmetrical mononuclear zinc complex: synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations, and application in a supercapacitor electrode
• Authors of publication: Lakhdari-Idir, Houria; Ait Ramdane-Terbouche, Chafia; Terbouche, Achour; Ait Kaci Azzou, Katia; Ait Ramdane, Khaled; Roisnel, Thierry; Aoulmi, Fodil; Manseri, Amar; Hauchard, Didier
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 37
• Pages of publication: 16344 - 16358
• a: 11.3224 ± 0.0005 Å
• b: 6.2518 ± 0.0002 Å
• c: 16.4528 ± 0.0006 Å
• α: 90°
• β: 92.734 ± 0.002°
• γ: 90°
• Cell volume: 1163.29 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.027
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No