Information card for entry 4350300

Structure parameters

• Formula: C34 H54 F5 N5 O6 Pd
• Calculated formula: C34 H54 F5 N5 O6 Pd
• SMILES: [Pd](N1C(=O)C(=CN(C1=O)C)C)(N1C(=O)C(C=C(C)C1=O)C)c1c(F)c(F)c(F)c(F)c1F.O.[N+](CCCC)(CCCC)(CCCC)CCCC.O
• 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: 15.419 ± 0.001 Å
• b: 16.771 ± 0.001 Å
• c: 15.51 ± 0.001 Å
• α: 90°
• β: 97.43 ± 0.01°
• γ: 90°
• Cell volume: 3977.1 ± 0.4 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: 0.075
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No