Information card for entry 7716171

Structure parameters

• Formula: C14 H11 Br2 Cl N2 O Pd
• Calculated formula: C14 H11 Br2 Cl N2 O Pd
• SMILES: Brc1c2c(cc(Br)c1)C=[N]1CCc3cccc[n]3[Pd]1(Cl)O2
• Title of publication: Structural features and antiproliferative activity of Pd(II) complexes with halogenated ligands: a comparative study between Schiff base and reduced Schiff base complexes.
• Authors of publication: Forooghi, Kimia; Amiri Rudbari, Hadi; Stagno, Claudio; Iraci, Nunzio; Cuevas-Vicario, José V; Kordestani, Nazanin; Schirmeister, Tanja; Efferth, Thomas; Omer, Ejlal A.; Moini, Nakisa; Aryaeifar, Mahnaz; Blacque, Olivier; Azadbakht, Reza; Micale, Nicola
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10571 - 10591
• a: 15.0229 ± 0.0003 Å
• b: 7.4877 ± 0.0001 Å
• c: 15.3898 ± 0.0003 Å
• α: 90°
• β: 115.204 ± 0.002°
• γ: 90°
• Cell volume: 1566.34 ± 0.05 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0177
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No