Information card for entry 4318982

Structure parameters

• Formula: C23 H23.5 N5 O4.25 Pd
• Calculated formula: C23 H23 N5 O4.25 Pd
• SMILES: [Pd]12(OC(=N[N]2=Cc2ccc(N(CC)CC)cc2O1)c1ccc(N(=O)=O)cc1)[n]1ccccc1.O
• Title of publication: Synthesis, Structure, and Second-Order Nonlinear Optical Properties of Copper(II) and Palladium(II) Acentric Complexes with N-Salicylidene-N'-aroylhydrazine Tridentate Ligands
• Authors of publication: F. Cariati; U. Caruso; R. Centore; W. Marcolli; A. De Maria; B. Panunzi; A. Roviello; A. Tuzi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6597 - 6603
• a: 24.507 ± 0.003 Å
• b: 10.092 ± 0.005 Å
• c: 37.047 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9163 ± 5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.296
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No