Information card for entry 4102789

Structure parameters

• Formula: C41 H52 N P Pt
• Calculated formula: C41 H52 N P Pt
• SMILES: [Pt]1([P](Cc2ccccc12)(C12CC3CC(C2)CC(C1)C3)C12CC3CC(C1)CC(C2)C3)([n]1ccccc1)c1c(cc(cc1C)C)C
• 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: 19.2068 ± 0.0004 Å
• b: 14.9867 ± 0.0003 Å
• c: 28.4503 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8189.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No