Information card for entry 4102790

Structure parameters

• Formula: C54 H72 Cl2 P2 Pt2
• Calculated formula: C54 H72 Cl2 P2 Pt2
• SMILES: [Pt]12([Cl][Pt]3([Cl]1)[P](Cc1c3cccc1)(C13CC4CC(CC(C1)C4)C3)C13CC4CC(CC(C1)C4)C3)[P](Cc1c2cccc1)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2
• 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: 36.0527 ± 0.0004 Å
• b: 36.0527 ± 0.0004 Å
• c: 20.744 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26963 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No