Information card for entry 4108783

Structure parameters

• Formula: C50 H42 F6 O7 P2 Pt S2
• Calculated formula: C50 H42 F6 O7 P2 Pt S2
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccc3c(c2c2c4c(cccc4)ccc2[P]1(c1ccccc1)c1ccccc1)cccc3)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.O(CC)CC
• Title of publication: Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer
• Authors of publication: Jennifer L. McBee; Alexis T. Bell; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 16562 - 16571
• a: 12.5853 ± 0.0008 Å
• b: 15.744 ± 0.001 Å
• c: 24.1309 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4781.4 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 15.3 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No