Information card for entry 7017123

Structure parameters

• Formula: C46 H42 N2 O4 P2 Pd
• Calculated formula: C46 H42 N2 O4 P2 Pd
• SMILES: C1(=O)CCCC(=O)N1[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(N1C(=O)CCCC1=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.3935 ± 0.0004 Å
• b: 19.6173 ± 0.0009 Å
• c: 10.4028 ± 0.0005 Å
• α: 90°
• β: 104.947 ± 0.001°
• γ: 90°
• Cell volume: 1852.12 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No