Information card for entry 4116646

Structure parameters

• Formula: C19 H26 B Br F4 N2 O Pt
• Calculated formula: C19 H26 B Br F4 N2 O Pt
• SMILES: [Pt]12(Br)[N](C[CH]3=[C]2(C(=CC(O)=C3)C[N]1(C)C)Cc1ccccc1)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Metal-Mediated C-C Bond Making and Breaking: First Direct Evidence for a Reversible Migration of a Benzyl Group along a Metal-Carbon Bond
• Authors of publication: Albrecht, Martin; Gossage, Robert A.; Spek, Anthony L.; van Koten, Gerard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Journal issue: 50
• Pages of publication: 11898 - 11899
• a: 11.6996 ± 0.001 Å
• b: 12.3935 ± 0.0011 Å
• c: 15.8708 ± 0.0013 Å
• α: 90°
• β: 113.34 ± 0.007°
• γ: 90°
• Cell volume: 2112.9 ± 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: 0.0359
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No