Information card for entry 4118537

Structure parameters

• Formula: C33 H52 Cl2 F3 I P2 Pt
• Calculated formula: C33 H52 Cl2 F3 I P2 Pt
• SMILES: [Pt]1(I)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1c(cc(cc1F)F)F.C(Cl)Cl
• Title of publication: Electrophilic Fluorination of Organoplatinum(II) Iodides: Iodine and Platinum Atoms as Competing Fluorination Sites
• Authors of publication: Ina S. Dubinsky-Davidchik; Shay Potash; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 14027 - 14032
• a: 16.286 ± 0.0003 Å
• b: 8.9776 ± 0.0002 Å
• c: 24.3315 ± 0.0007 Å
• α: 90°
• β: 94.1696 ± 0.0008°
• γ: 90°
• Cell volume: 3548.07 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No