Information card for entry 4072204

Structure parameters

• Formula: C20 H27 Cl N2 O2 Pd
• Calculated formula: C20 H27 Cl N2 O2 Pd
• SMILES: [Pd]12(c3c(C4OC[C@@H]([N]1=4)CC(C)C)cccc3C1=[N]2[C@H](CO1)CC(C)C)Cl
• Title of publication: Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route
• Authors of publication: Kimura, Tsutomu; Uozumi, Yasuhiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5159
• a: 12.4126 ± 0.0011 Å
• b: 20.842 ± 0.002 Å
• c: 13.268 ± 0.002 Å
• α: 90°
• β: 117.754 ± 0.004°
• γ: 90°
• Cell volume: 3037.6 ± 0.6 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No