Information card for entry 7051031

Structure parameters

• Formula: C29 H29 Cl N O7 P Pd
• Calculated formula: C29 H29 Cl N O7 P Pd
• SMILES: [Pd]12(c3c(C=[N]1CC[OH]2)cc(c(c3)OC)OC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, structure and reactivity of PdII complexes with the terdentate imino alcohol ligand C6H3-3,4-(OMe)2‒C(H)NCH2CH2OH
• Authors of publication: Carlos Cativiela; Larry R. Falvello; Juan Carlos Ginés; Rafael Navarro; Esteban P. Urriolabeitia
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 344 - 352
• a: 23.732 ± 0.002 Å
• b: 8.039 ± 0.002 Å
• c: 14.922 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2846.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No