Information card for entry 7251800

Structure parameters

• Formula: C18 H14 F3 I3 N4 O4 Pd
• Calculated formula: C18 H14 F3 I3 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: 4.2749 ± 0.0001 Å
• b: 17.9506 ± 0.0004 Å
• c: 30.5282 ± 0.0008 Å
• α: 90°
• β: 90.086 ± 0.002°
• γ: 90°
• Cell volume: 2342.64 ± 0.1 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No