Information card for entry 4074947

Structure parameters

• Formula: C27.5 H24 F10 N4 O4 Pd
• Calculated formula: C27.5 H24 F10 N4 O4 Pd
• SMILES: [Pd](OC(=O)C(F)(F)C(F)(F)F)(OC(=O)C(F)(F)C(F)(F)F)(=C1N(c2ccccc2N1C)C)=C1N(c2ccccc2N1C)C.c1(ccccc1)C
• Title of publication: Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity
• Authors of publication: Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1298 - 1302
• a: 12.144 ± 0.0007 Å
• b: 24.1984 ± 0.0013 Å
• c: 21.5159 ± 0.0013 Å
• α: 90°
• β: 97.893 ± 0.002°
• γ: 90°
• Cell volume: 6262.9 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No