Information card for entry 4314805

Structure parameters

• Formula: C23 H42 Cl N P2 Pd
• Calculated formula: C23 H42 Cl N P2 Pd
• SMILES: [Pd]12([P](CC3N2C(C=CC=3)=C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)Cl
• Title of publication: Cationic, Neutral, and Anionic PNP PdII and PtII Complexes: Dearomatization by Deprotonation and Double-Deprotonation of Pincer Systems
• Authors of publication: Moran Feller; Eyal Ben-Ari; Mark A. Iron; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; Leonid Konstantinovski; David Milstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1615 - 1625
• a: 22.4434 ± 0.0014 Å
• b: 8.0692 ± 0.0006 Å
• c: 14.1822 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2568.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No