Information card for entry 4071168

Structure parameters

• Formula: C34 H30 Cl N5 Pd
• Calculated formula: C34 H30 Cl N5 Pd
• SMILES: c1ccccc1CN1C2N(C=C1)c1c(N3c4c(N5C(=[Pd]=23Cl)N(Cc2ccccc2)C=C5)cc(cc4)C)ccc(c1)C
• Title of publication: Synthesis, Structure, and Catalytic Activity of Palladium(II) Complexes of New CNC Pincer-Type N-Heterocyclic Carbene Ligands
• Authors of publication: Wei, Wei; Qin, Yuancheng; Luo, Meiming; Xia, Pingfang; Wong, Man Shing
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2268
• a: 16.337 ± 0.004 Å
• b: 9.571 ± 0.003 Å
• c: 18.747 ± 0.009 Å
• α: 90°
• β: 100.79 ± 0.03°
• γ: 90°
• Cell volume: 2879.5 ± 1.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No