Information card for entry 7710559

Structure parameters

• Formula: C48 H65 Cl N6 O3 Pd
• Calculated formula: C48 H65 Cl N6 O3 Pd
• SMILES: [C@@]12(C(C[C@H](CC1)C(=C)C)=[N](O)[Pd]1([NH]2c2ccccc2)[NH]([C@]2(C(C[C@H](CC2)C(=C)C)=N1=O)C)c1ccccc1)C.[Cl-].[C@@]1(/C(=N/O)C[C@H](CC1)C(=C)C)(C)Nc1ccccc1
• Title of publication: Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells
• Authors of publication: de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.0496 ± 0.0012 Å
• b: 15.8129 ± 0.0014 Å
• c: 22.4136 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4625.1 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No