Information card for entry 2023532

Structure parameters

• Chemical name: Bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κ<i>O</i>)bis(picolinato-κ^2^<i>N</i>,<i>O</i>)copper(II)
• Formula: C20 H24 Cl2 Cu N8 O12 S4
• Calculated formula: C20 H21 Cl2 Cu N8 O12 S4
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of bis[2-amino-5-(ethylsulfanyl)-1,3,4-thiadiazol-3-ium] bis(perchlorato-κO)bis(picolinato-κ2 N,O)copper(II)
• Authors of publication: Khojabaeva, Gulnaz; Torambetov, Batirbay; Gonnade, Rajesh G.; Uzakbergenova, Zamira; Rasulov, Abdusamat; Kadirova, Shakhnoza
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 7
• a: 6.31 ± 0.0002 Å
• b: 9.8179 ± 0.0002 Å
• c: 13.3493 ± 0.0004 Å
• α: 90.522 ± 0.001°
• β: 98.818 ± 0.001°
• γ: 99.478 ± 0.001°
• Cell volume: 805.57 ± 0.04 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No