Information card for entry 4314804

Structure parameters

• Formula: C25 H47 Cl4 N P2 Pt
• Calculated formula: C25 H47 Cl4 N P2 Pt
• SMILES: [Pt]12(C)[n]3c(cccc3C[P]2(C(C)(C)C)C(C)(C)C)C[P]1(C(C)(C)C)C(C)(C)C.[Cl-].C(Cl)(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: 14.5689 ± 0.0008 Å
• b: 15.4434 ± 0.0004 Å
• c: 16.2371 ± 0.0005 Å
• α: 114.733 ± 0.001°
• β: 99.124 ± 0.002°
• γ: 96.4 ± 0.002°
• Cell volume: 3211.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0257
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No