Information card for entry 4072008

Structure parameters

• Formula: C22 H27 Cl N4 O Pd
• Calculated formula: C22 H27 Cl N4 O Pd
• SMILES: [Pd]1(=C(N=C2N1C(=O)c1ccccc21)NC1CCCCC1)(Cl)C#[N]C1CCCCC1
• Title of publication: Coupling between 3-Iminoisoindolin-1-ones and Complexed Isonitriles as a Metal-Mediated Route to a Novel Type of Palladium and Platinum Iminocarbene Species
• Authors of publication: Luzyanin, Konstantin V.; Pombeiro, Armando J. L.; Haukka, Matti; Kukushkin, Vadim Yu.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5379
• a: 8.9322 ± 0.0003 Å
• b: 11.5556 ± 0.0005 Å
• c: 11.6712 ± 0.0005 Å
• α: 109.128 ± 0.002°
• β: 107.747 ± 0.002°
• γ: 93.895 ± 0.003°
• Cell volume: 1064.97 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No