Information card for entry 4350296

Structure parameters

• Formula: C30 H38 Cl6 N8 O2 Pd2
• Calculated formula: C30 H38 Cl6 N8 O2 Pd2
• SMILES: [Pd]12(c3ccccc3C[N]1(C)C)Nc1ccn(c(=O)[n]1[Pd]1(Nc3ccn(c(=O)[n]23)C)c2ccccc2C[N]1(C)C)C.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Palladium(II) and platinum(II) organometallic complexes with the model nucleobase anions of thymine, uracil, and cytosine: antitumor activity and interactions with DNA of the platinum compounds.
• Authors of publication: Ruiz, José; Lorenzo, Julia; Sanglas, Laura; Cutillas, Natalia; Vicente, Consuelo; Villa, María Dolores; Avilés, Francesc X; López, Gregorio; Moreno, Virtudes; Pérez, José; Bautista, Delia
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6347 - 6360
• a: 20.1123 ± 0.0011 Å
• b: 9.776 ± 0.0011 Å
• c: 20.7128 ± 0.0011 Å
• α: 90°
• β: 92.273 ± 0.005°
• γ: 90°
• Cell volume: 4069.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No