Information card for entry 4107162

Structure parameters

• Formula: C60 H49 B F24 N2 Pt
• Calculated formula: C60 H49 B F24 N2 Pt
• SMILES: [Pt]12([n]3ccc(cc3c3[n]1ccc(c3)C(C)(C)C)C(C)(C)C)([CH2]=[CH2]2)CCc1ccccc1.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes
• Authors of publication: Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19131 - 19152
• a: 10.2446 ± 0.0002 Å
• b: 10.4139 ± 0.0002 Å
• c: 14.1631 ± 0.0003 Å
• α: 81.36 ± 0.001°
• β: 78.361 ± 0.001°
• γ: 82.855 ± 0.001°
• Cell volume: 1456.22 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No