Information card for entry 4075263

Structure parameters

• Formula: C20 H19 Cl4 N3 O Pd
• Calculated formula: C20 H19 Cl4 N3 O Pd
• SMILES: [Pd]1(=C2N(C=CN2c2c(C)cc(C)cc2C)C2Oc3ccccc3[N]1=2)(Cl)Cl.ClCCl
• Title of publication: Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§
• Authors of publication: Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2634
• a: 11.615 ± 0.0005 Å
• b: 14.779 ± 0.0007 Å
• c: 13.821 ± 0.0007 Å
• α: 90°
• β: 108.415 ± 0.003°
• γ: 90°
• Cell volume: 2251 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1728
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No