Information card for entry 4073760

Structure parameters

• Formula: C39 H46 N4 O8 Pd
• Calculated formula: C39 H46 N4 O8 Pd
• SMILES: [Pd]1(=C2N(CCN2c2c(OC)cc(OC)cc2)c2c1cc(OC)cc2OC)(C)=C1N(CCN1c1c(OC)cc(OC)cc1)c1c(OC)cc(OC)cc1
• Title of publication: Cyclometalated and Alkoxyphenyl-Substituted Palladium Imidazolin-2-ylidene Complexes. Synthetic, Structural, and Catalytic Studies
• Authors of publication: Stylianides, Neoklis; Danopoulos, Andreas A.; Pugh, David; Hancock, Fred; Zanotti-Gerosa, Antonio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5627
• a: 11.514 ± 0.0002 Å
• b: 17.8268 ± 0.0004 Å
• c: 18.584 ± 0.0005 Å
• α: 87.615 ± 0.001°
• β: 86.81 ± 0.001°
• γ: 85.369 ± 0.001°
• Cell volume: 3793.52 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No