Information card for entry 1512128

Structure parameters

• Formula: C25 H22 Cl5 N2 P Pd
• Calculated formula: C25 H22 Cl5 N2 P Pd
• SMILES: [Pd]1([n]2c(cccc2)C[N]1=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl.ClC(Cl)Cl
• Title of publication: Potential Anticancer Heterometallic Fe‒Au and Fe‒Pd Agents: Initial Mechanistic Insights
• Authors of publication: Lease, Nicholas; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Sanaú, Mercedes; Hirva, Pipsa; Casini, Angela; Contel, María
• Journal of publication: Journal of Medicinal Chemistry
• Year of publication: 2013
• Journal volume: 56
• Journal issue: 14
• Pages of publication: 5806
• a: 13.102 ± 0.003 Å
• b: 14.328 ± 0.003 Å
• c: 15.347 ± 0.003 Å
• α: 90°
• β: 111.72 ± 0.03°
• γ: 90°
• Cell volume: 2676.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No