Information card for entry 7251802

Structure parameters

• Formula: C20 H18 F4 I2 N4 O4 Pd
• Calculated formula: C20 H18 F4 I2 N4 O4 Pd
• Title of publication: Palladium(II) complexes of 5-acetylmethyl-1,2,4-oxadiazole: versatile ditopic acceptors for halogen bonding
• Authors of publication: Abulkhaev, Jacob U.; Semenov, Artem V.; Ivanov, Daniil; Ignatov, Eugene V.; Baykov, Sergey; Bokach, Nadezhda A.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 5.2758 ± 0.0003 Å
• b: 10.394 ± 0.0013 Å
• c: 11.6124 ± 0.0008 Å
• α: 89.207 ± 0.008°
• β: 78.929 ± 0.005°
• γ: 75.569 ± 0.007°
• Cell volume: 604.83 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0288
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0689
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No