Information card for entry 4073759

Structure parameters

• Formula: C35 H38 N4 O4 Pd
• Calculated formula: C35 H38 N4 O4 Pd
• SMILES: [Pd]1(=C2N(c3ccc(OC)cc13)CCN2c1ccc(OC)cc1)(=C1N(CCN1c1ccc(OC)cc1)c1ccc(OC)cc1)C
• 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: 10.4722 ± 0.0005 Å
• b: 16.085 ± 0.0009 Å
• c: 18.4923 ± 0.0009 Å
• α: 90°
• β: 92.636 ± 0.002°
• γ: 90°
• Cell volume: 3111.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No