Information card for entry 7106118

Structure parameters

• Formula: C38 H32 Cl2 F6 N2 P4 Pt
• Calculated formula: C38 H32 Cl2 F6 N2 P4 Pt
• SMILES: [Pt]12(Cl)[P](c3ccccc3)(c3ccccc3)c3ccccc3N3[P]1(Cl)N(CC3)c1ccccc1[P]2(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Guilty as charged: non-innocent behavior by a pincer ligand featuring a central cationic phosphenium donor
• Authors of publication: Gregory S. Day; Baofei Pan; Daniel L. Kellenberger; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3634
• a: 12.5297 ± 0.0007 Å
• b: 13.4232 ± 0.0007 Å
• c: 22.7095 ± 0.0013 Å
• α: 90°
• β: 96.303 ± 0.002°
• γ: 90°
• Cell volume: 3796.4 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0227
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for all reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No