Information card for entry 7045159

Structure parameters

• Common name: [Pd(P(Oquin)3}Cl2]
• Chemical name: [Pd(P(Oquin)3}Cl2]
• Formula: C28 H20 Cl4 N3 O3 P Pd
• Calculated formula: C28 H20 Cl4 N3 O3 P Pd
• SMILES: c1(c2ncccc2ccc1)O[P]1(Oc2c3[n](cccc3ccc2)[Pd]1(Cl)Cl)Oc1c2ncccc2ccc1.C(Cl)Cl
• Title of publication: Synthesis, characterization and Pd(ii)-coordination chemistry of the ligand tris(quinolin-8-yl)phosphite. Application in the catalytic aerobic oxidation of amines.
• Authors of publication: Rodríguez-Lugo, R E; Chacón-Terán, M A; De León, S; Vogt, M.; Rosenthal, A. J.; Landaeta, V. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 6
• Pages of publication: 2061 - 2072
• a: 10.7868 ± 0.0011 Å
• b: 23.313 ± 0.002 Å
• c: 10.9533 ± 0.0011 Å
• α: 90°
• β: 92.511 ± 0.002°
• γ: 90°
• Cell volume: 2751.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No