Information card for entry 2023310

Structure parameters

• Chemical name: Bis[μ-3,3,3',3'-tetraethyl-1,1'-(furan-2,5-dicarbonyl)bis(thioureato)]dicopper(II) dichloromethane disolvate
• Formula: C34 H48 Cl4 Cu2 N8 O6 S4
• Calculated formula: C34 H48 Cl4 Cu2 N8 O6 S4
• Title of publication: Crystal structure of a solvated dinuclear CuII complex derived from 3,3,3′,3′-tetraethyl-1,1′-(furan-2,5-dicarbonyl)bis(thiourea)
• Authors of publication: Le, Canh Dinh; Nguyen, Hoang Phuc; Pham, Chien Thang
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 12
• a: 10.229 ± 0.0009 Å
• b: 13.0681 ± 0.001 Å
• c: 16.9601 ± 0.0015 Å
• α: 90°
• β: 98.377 ± 0.003°
• γ: 90°
• Cell volume: 2242.9 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No