Information card for entry 4350295

Structure parameters

• Formula: C30 H38 N6 O4 Pd2
• Calculated formula: C30 H38 N6 O4 Pd2
• SMILES: [Pd]1(Oc2c(C)cn(c(=O)[n]2[Pd]23c4ccccc4C[N]2(C)C)C)([n]2c(c(cn(c2=O)C)C)O3)[N](C)(Cc2c1cccc2)C
• 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: 9.9003 ± 0.0002 Å
• b: 19.3077 ± 0.0004 Å
• c: 16.9681 ± 0.0004 Å
• α: 90°
• β: 106.19 ± 0.01°
• γ: 90°
• Cell volume: 3114.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No