Information card for entry 4115624

Structure parameters

• Formula: C15 H24 F3 I N2 O4 Pt S
• Calculated formula: C15 H24 F3 I N2 O4 Pt S
• SMILES: [Pt]12(I)[N](CC3=CC(=CC(=[C]23C)C[N]1(C)C)OC)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Carenium-Calkyl Bond Making and Breaking: Key Process in the Platinum-Mediated Caryl-Calkyl Bond Formation. Analogies to Organic Electrophilic Aromatic Substitution
• Authors of publication: Martin Albrecht; Anthony L. Spek; Gerard van Koten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 7233 - 7246
• a: 10.9657 ± 0.0012 Å
• b: 15.9029 ± 0.0014 Å
• c: 11.9313 ± 0.0011 Å
• α: 90°
• β: 93.304 ± 0.008°
• γ: 90°
• Cell volume: 2077.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No