Information card for entry 4107289

Structure parameters

• Formula: C18 H24 F2 I2 P2 Pt
• Calculated formula: C18 H24 F2 I2 P2 Pt
• SMILES: [Pt]1(I)(I)([P](CC[P]1(C)C)(C)C)(c1ccc(F)cc1)c1ccc(F)cc1
• Title of publication: Competitive Aryl-Iodide vs Aryl-Aryl Reductive Elimination Reactions in Pt(IV) Complexes: Experimental and Theoretical Studies
• Authors of publication: Anette Yahav-Levi; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 724 - 731
• a: 16.3151 ± 0.0002 Å
• b: 16.4521 ± 0.0003 Å
• c: 16.5118 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4432.06 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No