Information card for entry 4075264

Structure parameters

• Formula: C38 H34 I2 N6 O2 Pd
• Calculated formula: C38 H34 I2 N6 O2 Pd
• SMILES: C1N(c2nc3c(o2)cccc3)C(=[Pd](I)(=C2N(C=CN2c2c(C)cc(C)cc2C)c2nc3c(o2)cccc3)I)N(C=1)c1c(C)cc(C)cc1C
• 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: 15.941 ± 0.001 Å
• b: 17.114 ± 0.001 Å
• c: 13.24 ± 0.001 Å
• α: 90 ± 0.05°
• β: 90 ± 0.05°
• γ: 90 ± 0.05°
• Cell volume: 3612.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1393
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No