Information card for entry 7043523

Structure parameters

• Formula: C58 H50 Cl8 N4 O4 Pd S2
• Calculated formula: C58 H50 Cl8 N4 O4 Pd S2
• SMILES: c1(ccccc1)N(C(=O)C[S](CC(=O)N(c1ccccc1)c1ccccc1)[Pd](Cl)([S](CC(=O)N(c1ccccc1)c1ccccc1)CC(=O)N(c1ccccc1)c1ccccc1)Cl)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Palladium(II) complexes of N, N-diphenylacetamide based thio/selenoethers and flower shaped Pd16S7 and prismatic Pd17Se15 nano-particles tailored from them as catalysts for C−C and C−O coupling
• Authors of publication: Singh, Poornima; Singh, Ajai kumar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.7 ± 0.004 Å
• b: 12.284 ± 0.004 Å
• c: 12.639 ± 0.004 Å
• α: 96.477 ± 0.007°
• β: 114.035 ± 0.006°
• γ: 106.735 ± 0.006°
• Cell volume: 1532.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No