Information card for entry 4118539

Structure parameters

• Formula: C32 H48 F5 I P2 Pt
• Calculated formula: C32 H48 F5 I P2 Pt
• SMILES: [Pt]1(I)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1c(c(c(c(c1F)F)F)F)F
• 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: 16.2512 ± 0.0002 Å
• b: 17.3402 ± 0.0002 Å
• c: 23.8768 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6728.46 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No