Information card for entry 4102788

Structure parameters

• Formula: C41 H48 Cl9 F3 N P Pt
• Calculated formula: C41 H48 Cl9 F3 N P Pt
• SMILES: [Pt]1([P](C23CC4CC(CC(C2)C4)C3)(C23CC4CC(CC(C2)C4)C3)Cc2ccccc12)([n]1ccccc1)(c1ccc(cc1)F)(F)F.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 20.4472 ± 0.0006 Å
• b: 10.9518 ± 0.0003 Å
• c: 20.3069 ± 0.0005 Å
• α: 90°
• β: 90.7561 ± 0.001°
• γ: 90°
• Cell volume: 4547 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No