Information card for entry 4071322

Structure parameters

• Formula: C25 H40 Cl N2 P Pt
• Calculated formula: C25 H40 Cl N2 P Pt
• SMILES: [Pt]1(Cl)([P](Cc2[n]1c(ccc2)CN(CC)CC)(C(C)(C)C)C(C)(C)C)c1ccccc1
• Title of publication: Cationic, Neutral, and Anionic Platinum(II) Complexes Based on an Electron-Rich PNN Ligand. New Modes of Reactivity Based on Pincer Hemilability and Dearomatization
• Authors of publication: Vuzman, Dana; Poverenov, Elena; Shimon, Linda J. W.; Diskin-Posner, Yael; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2627
• a: 12.6781 ± 0.0003 Å
• b: 10.0244 ± 0.0002 Å
• c: 20.893 ± 0.0006 Å
• α: 90°
• β: 102.328 ± 0.0013°
• γ: 90°
• Cell volume: 2594.07 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No