Information card for entry 4072729

Structure parameters

• Common name: Compound X
• Formula: C55 H40 Cl3 F10 O P2 Pt2
• Calculated formula: C55 H40 Cl3 F10 O P2 Pt2
• SMILES: [Pt]1([Pt]2(c3c(c(c(c(c3F)F)F)F)F)(c3c(c(c(c(c3F)F)F)F)F)[C]1#[C]2C(O)(C)CC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Rearrangement or C−H Activation Processes Promoted by Reaction with the Solvate [cis-Pt(C6F5)2(thf)2]
• Authors of publication: Berenguer, Jesús R.; Bernechea, María; Lalinde, Elena
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1161
• a: 13.733 ± 0.0005 Å
• b: 14.664 ± 0.0005 Å
• c: 16.671 ± 0.0007 Å
• α: 64.42 ± 0.002°
• β: 88.728 ± 0.002°
• γ: 64.725 ± 0.002°
• Cell volume: 2683.61 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No