Information card for entry 4102791

Structure parameters

• Formula: C57 H59 F4 N O3 P2 Pt S
• Calculated formula: C57 H59 F4 N O3 P2 Pt S
• SMILES: [Pt]1([P](C23CC4CC(C3)CC(C2)C4)(C23CC4CC(C3)CC(C2)C4)Cc2c1cccc2c1ccc(cc1)F)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Reagent-Dependent Formation of C-C and C-F Bonds in Pt Complexes: An Unexpected Twist in the Electrophilic Fluorination Chemistry
• Authors of publication: Ariela W. Kaspi; Israel Goldberg; Arkadi Vigalok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10626 - 10627
• a: 12.6717 ± 0.0003 Å
• b: 20.2955 ± 0.0004 Å
• c: 19.301 ± 0.0005 Å
• α: 90°
• β: 93.0782 ± 0.001°
• γ: 90°
• Cell volume: 4956.6 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No