Information card for entry 4106227

Structure parameters

• Formula: C57 H46 B F24 P3 Pt
• Calculated formula: C57 H46 B F24 P3 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](C)(C)CC[P]1(C)C)C.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: Transmetalation of Methyl Groups Supported by PtII-AuI Bonds in the Gas Phase, in Silico, and in Solution
• Authors of publication: Daniel Serra; Marc-Etienne Moret; Peter Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8914 - 8926
• a: 14.0088 ± 0.0002 Å
• b: 14.8434 ± 0.0003 Å
• c: 16.4241 ± 0.0003 Å
• α: 103.556 ± 0.0007°
• β: 110.044 ± 0.0009°
• γ: 103.809 ± 0.0007°
• Cell volume: 2922.46 ± 0.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No