Information card for entry 4073867

Structure parameters

• Formula: C42 H42 B F4 N O3 P2 Pt
• Calculated formula: C42 H42 B F4 N O3 P2 Pt
• SMILES: [Pt]12([P](Cc3[n]2c(C[P]1(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1)CCc1c(OC)cc(OC)cc1OC.[B](F)(F)(F)[F-]
• Title of publication: Catalytic Hydroarylation of Olefins Promoted by Dicationic Platinum(II) and Palladium(II) Complexes. The Interplay of C−C Bond Formation and M−C Bond Cleavage
• Authors of publication: Cucciolito, Maria Elena; D'Amora, Angela; Tuzi, Angela; Vitagliano, Aldo
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 5216
• a: 18.286 ± 0.003 Å
• b: 11.617 ± 0.003 Å
• c: 20.683 ± 0.004 Å
• α: 90°
• β: 114.68 ± 0.01°
• γ: 90°
• Cell volume: 3992.3 ± 1.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1886
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No