Information card for entry 4083434

Structure parameters

• Formula: C31 H30 Cl2 N4 Pd
• Calculated formula: C31 H30 Cl2 N4 Pd
• SMILES: C(#[N]c1c(cccc1C)C)[Pd](=C(NN=C(c1ccccc1)c1ccccc1)Nc1c(cccc1C)C)(Cl)Cl
• Title of publication: Novel Metal-Mediated (M = Pd, Pt) Coupling between Isonitriles and Benzophenone Hydrazone as a Route to Aminocarbene Complexes Exhibiting High Catalytic Activity (M = Pd) in the Suzuki−Miyaura Reaction
• Authors of publication: Luzyanin, Konstantin V.; Tskhovrebov, Alexander G.; Carias, M. Carolina; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.; Kukushkin, Vadim Yu.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 22
• Pages of publication: 6559
• a: 10.2783 ± 0.0006 Å
• b: 11.5467 ± 0.0007 Å
• c: 13.7539 ± 0.0008 Å
• α: 71.342 ± 0.003°
• β: 76.117 ± 0.004°
• γ: 68.708 ± 0.002°
• Cell volume: 1426.74 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No