Information card for entry 7251801

Structure parameters

• Formula: C28 H18 F4 I2 N4 O4 Pd
• Calculated formula: C28 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 M.; Ignatov, Eugene V.; Baykov, Sergey V.; Bokach, Nadezhda A.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 2443 - 2454
• a: 6.0196 ± 0.0002 Å
• b: 10.5726 ± 0.0005 Å
• c: 11.3896 ± 0.0005 Å
• α: 80.628 ± 0.004°
• β: 88.278 ± 0.003°
• γ: 76.719 ± 0.004°
• Cell volume: 696.04 ± 0.05 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: 0.0498
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No