Information card for entry 4314801

Structure parameters

• Formula: C48 H92 Cl8 N2 O P4 Pd2
• Calculated formula: C48 H92 Cl8 N2 O P4 Pd2
• SMILES: [Pd]12(Cl)[n]3c(cccc3C[P]1(C(C)(C)C)C(C)(C)C)C[P]2(C(C)(C)C)C(C)(C)C.[Cl-].C(Cl)Cl.O
• 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: 11.2479 ± 0.0007 Å
• b: 16.8435 ± 0.0011 Å
• c: 17.2519 ± 0.0011 Å
• α: 77.101 ± 0.003°
• β: 78.669 ± 0.003°
• γ: 87.601 ± 0.003°
• Cell volume: 3123.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No