Information card for entry 7054912

Structure parameters

• Formula: C22 H22 O4 Pd S4
• Calculated formula: C22 H22 O4 Pd S4
• SMILES: C1(=[S][Pd]2(OC(=C1)c1ccc(cc1)OC)OC(=CC(=[S]2)SC)c1ccc(cc1)OC)SC
• Title of publication: Anti-leishmanial activity of Ni(ii), Pd(ii) and Pt(ii) β-oxodithioester complexes
• Authors of publication: Yadav, Manoj Kumar; Rajput, Gunjan; Srivastava, Khushboo; Singh, Rakesh K.; Mishra, Rajnikant; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6358
• a: 17.4781 ± 0.0005 Å
• b: 17.4781 ± 0.0005 Å
• c: 15.3714 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4695.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No