Information card for entry 7710558

Structure parameters

• Formula: C17 H24 Cl2 N2 O Pd
• Calculated formula: C17 H24 Cl2 N2 O Pd
• SMILES: [C@]12(C(C[C@@H](CC1)C(=C)C)=[N](O)[Pd](Cl)(Cl)[NH]2Cc1ccccc1)C
• 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: 10.5967 ± 0.0011 Å
• b: 12.2575 ± 0.0013 Å
• c: 28.2589 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3670.5 ± 0.6 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: 0.0868
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No