Information card for entry 7043522

Structure parameters

• Formula: C60 H54 Cl2 N6 O4 Pd Se2
• Calculated formula: C60 H54 Cl2 N6 O4 Pd Se2
• SMILES: c1ccccc1N(c1ccccc1)C(=O)C[Se](CC(=O)N(c1ccccc1)c1ccccc1)[Pd](Cl)(Cl)[Se](CC(=O)N(c1ccccc1)c1ccccc1)CC(=O)N(c1ccccc1)c1ccccc1.N#CC.N#CC
• 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: 9.43 ± 0.002 Å
• b: 10.752 ± 0.003 Å
• c: 14.94 ± 0.004 Å
• α: 81.965 ± 0.004°
• β: 89.092 ± 0.005°
• γ: 68.046 ± 0.004°
• Cell volume: 1390.1 ± 0.6 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: 0.059
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No