Information card for entry 1514379

Structure parameters

• Formula: C54 H39 B F23 N P2 Pt
• Calculated formula: C54 H39 B F23 N P2 Pt
• SMILES: Fc1c(F)c(F)c(c(c1F)[B-](c1c(F)c(F)c(c(c1F)F)F)(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F)F.Fc1ccc2c(c1)[P](C(C)C)(C(C)C)[Pt]1([NH]2c2ccc(cc2[P]1(C(C)C)C(C)C)F)c1c(F)cccc1
• Title of publication: Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species
• Authors of publication: DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 642
• a: 15.495 ± 0.002 Å
• b: 18.673 ± 0.003 Å
• c: 22.444 ± 0.002 Å
• α: 90°
• β: 125.955 ± 0.007°
• γ: 90°
• Cell volume: 5256.7 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0376
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No