Information card for entry 4113917

Structure parameters

• Common name: [Ph2BP2]Pt(Me)(P(C6F5)3)C6H6
• Formula: C63 H43 B F15 P3 Pt
• Calculated formula: C63 H43 B F15 P3 Pt
• SMILES: [Pt]1([P](C[B](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)C.c1ccccc1
• Title of publication: Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes
• Authors of publication: J. Christopher Thomas; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8870 - 8888
• a: 11.096 ± 0.002 Å
• b: 12.329 ± 0.003 Å
• c: 20.719 ± 0.004 Å
• α: 96.85 ± 0.03°
• β: 103.38 ± 0.03°
• γ: 92.92 ± 0.03°
• Cell volume: 2728.7 ± 1.1 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 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: 0.0399
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No