Information card for entry 4304374

Structure parameters

• Formula: C18 H25 F5 N6 O3 Pd
• Calculated formula: C18 H21 F5 N6 O3 Pd
• SMILES: [Pd]1([N](CC[N]1(C)C)(C)C)(n1cnn2c1nc(cc2=O)C)c1c(F)c(F)c(F)c(F)c1F.O.O
• 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: 9.2868 ± 0.0008 Å
• b: 10.5789 ± 0.0006 Å
• c: 12.4126 ± 0.0007 Å
• α: 82.845 ± 0.004°
• β: 78.512 ± 0.006°
• γ: 69.745 ± 0.006°
• Cell volume: 1119.08 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No