Information card for entry 4108665

Structure parameters

• Formula: C36 H55 F6 N P2 Pt
• Calculated formula: C36 H55 F6 N P2 Pt
• SMILES: c1(c(c(c(cn1)F)C(F)(F)F)F)[Pt](F)([P](C1CCCC1)(C1CCCC1)C1CCCC1)[P](C1CCCC1)(C1CCCC1)C1CCCC1
• Title of publication: Competing C-F Activation Pathways in the Reaction of Pt(0) with Fluoropyridines: Phosphine-Assistance versus Oxidative Addition
• Authors of publication: Ainara Nova; Stefan Erhardt; Naseralla A. Jasim; Robin N. Perutz; Stuart A. Macgregor; John E. McGrady; Adrian C. Whitwood
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15499 - 15511
• a: 10.5548 ± 0.0006 Å
• b: 19.6695 ± 0.001 Å
• c: 17.3098 ± 0.0009 Å
• α: 90°
• β: 100.816 ± 0.001°
• γ: 90°
• Cell volume: 3529.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No