Information card for entry 4072728

Structure parameters

• Common name: Compound X
• Formula: C54.5 H38 Cl3 F10 P2 Pt2
• Calculated formula: C54.5 H38 Cl3 F10 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(=C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(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: 17.376 ± 0.0002 Å
• b: 24.139 ± 0.0002 Å
• c: 25.194 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10567.3 ± 0.17 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No