Information card for entry 4304377

Structure parameters

• Formula: C40 H47 F10 N9 O2 Pt
• Calculated formula: C40 H47 F10 N9 O2 Pt
• SMILES: [Pt]([n]1cnn2c(=O)cc([nH]c12)C)(n1cnn2c(=O)cc(nc12)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Palladium(II) and Platinum(II) Organometallic Complexes with 4,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine. Antitumor Activity of the Platinum Compounds
• Authors of publication: José Ruiz; María Dolores Villa; Natalia Cutillas; Concepción de Haro; Delia Bautista; Virtudes Moreno; Laura Valencia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4490 - 4505
• a: 10.466 ± 0.0004 Å
• b: 20.562 ± 0.0008 Å
• c: 21.5847 ± 0.0008 Å
• α: 90°
• β: 93.084 ± 0.001°
• γ: 90°
• Cell volume: 4638.3 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No