Information card for entry 7017122

Structure parameters

• Formula: C51 H40 Cl2 N2 O6 P2 Pd S2
• Calculated formula: C51 H40 Cl2 N2 O6 P2 Pd S2
• SMILES: [Pd](N1C(=O)c2ccccc2S1(=O)=O)(N1C(=O)c2c(cccc2)S1(=O)=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Bis(imidate)palladium(ii) complexes with labile ligands. Mimics of classical precursors?
• Authors of publication: Sánchez, Gregorio; García, Joaquín; Martínez, Marina; Kapdi, Anant R.; Pérez, José; García, Luis; Luis Serrano, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 47
• Pages of publication: 12676 - 12689
• a: 11.5868 ± 0.0012 Å
• b: 12.4344 ± 0.0013 Å
• c: 17.7515 ± 0.0018 Å
• α: 73.79 ± 0.002°
• β: 85.524 ± 0.002°
• γ: 69.586 ± 0.002°
• Cell volume: 2301.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No