Information card for entry 7059608

Structure parameters

• Formula: C29 H26 Fe N2 O6 Pd
• Calculated formula: C29 H26 Fe N2 O6 Pd
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C1=CC(c2ccc(cc2)O)=[N]2[Pd]3(O1)[N](CC2)=Cc1c(cc(cc1)C(=O)O)O3.O
• Title of publication: Palladium(ii) complexes of tetradentate donor‒acceptor Schiff base ligands: synthesis and spectral, structural, thermal and NLO properties
• Authors of publication: Celedón, Salvador; Roisnel, Thierry; Artigas, Vania; Fuentealba, Mauricio; Carrillo, David; Ledoux-Rak, Isabelle; Hamon, Jean-René; Manzur, Carolina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 9190 - 9201
• a: 7.2722 ± 0.0003 Å
• b: 12.5064 ± 0.0005 Å
• c: 14.6658 ± 0.0006 Å
• α: 101.63 ± 0.002°
• β: 90.256 ± 0.002°
• γ: 102.051 ± 0.002°
• Cell volume: 1276.15 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No