Information card for entry 4115204

Structure parameters

• Formula: C96 H82 B2 F48 P4 Pt2
• Calculated formula: C96 H77 B2 F48 P4 Pt2
• SMILES: [Pt]123([P](CC[P]1(CC)CC)(CC)CC)[C]1(=[CH]2C2[Pt]45([P](CC[P]4(CC)CC)(CC)CC)[CH]2=[CH]5C31)c1ccccc1.[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)c1cc(cc(c1)C(F)(F)F)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)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: C-H Activation and C-C Coupling of Arenes by Cationic Pt(II) Complexes
• Authors of publication: Wayde V. Konze; Brian L. Scott; Gregory J. Kubas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12550 - 12556
• a: 13.0443 ± 0.0006 Å
• b: 18.1546 ± 0.0009 Å
• c: 24.8574 ± 0.0011 Å
• α: 110.108 ± 0.001°
• β: 98.902 ± 0.001°
• γ: 98.738 ± 0.001°
• Cell volume: 5326 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0876
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No