Information card for entry 4067832

Structure parameters

• Formula: C34 H28 Br F5 N P Pt
• Calculated formula: C34 H28 Br F5 N P Pt
• SMILES: C[Pt]1(C)(c2c(c(c(c(c2F)F)F)F)C=[N]1Cc1ccc(cc1)Br)(F)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Exploration of the Mechanism of Platinum(II)-Catalyzed C‒F Activation: Characterization and Reactivity of Platinum(IV) Fluoroaryl Complexes Relevant to Catalysis
• Authors of publication: Wang, Tongen; Keyes, Lauren; Patrick, Brian O.; Love, Jennifer A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1397
• a: 28.4705 ± 0.001 Å
• b: 9.0217 ± 0.0003 Å
• c: 27.1319 ± 0.0014 Å
• α: 90°
• β: 118.75 ± 0.001°
• γ: 90°
• Cell volume: 6109.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No