Information card for entry 4304375

Structure parameters

• Formula: C30 H34 N10 O2 Pd2
• Calculated formula: C30 H34 N10 O2 Pd2
• SMILES: [Pd]12(n3c4[n]([Pd]5([N](Cc6c5cccc6)(C)C)[n]5cnn6c5n1c(cc6=O)C)cnn4c(=O)cc3C)[N](Cc1c2cccc1)(C)C
• 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: 9.7961 ± 0.0008 Å
• b: 27.5078 ± 0.0018 Å
• c: 11.3078 ± 0.0008 Å
• α: 90°
• β: 96.253 ± 0.006°
• γ: 90°
• Cell volume: 3029 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0536
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No