Information card for entry 4314802

Structure parameters

• Formula: C23 H43 Cl2 N P2 Pt
• Calculated formula: C23 H43 Cl2 N P2 Pt
• SMILES: [Pt]12([P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)Cl.[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: 18.631 ± 0.003 Å
• b: 18.631 ± 0.003 Å
• c: 14.821 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4455.3 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No