Information card for entry 4350298

Structure parameters

• Formula: C33 H34 N3 O2 P Pt
• Calculated formula: C33 H34 N3 O2 P Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([N](Cc2c1cccc2)(C)C)N1C(=O)C(=CN(C1=O)C)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: 18.2589 ± 0.0011 Å
• b: 8.0212 ± 0.0005 Å
• c: 20.8978 ± 0.0013 Å
• α: 90°
• β: 106.368 ± 0.002°
• γ: 90°
• Cell volume: 2936.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No