Information card for entry 4072730

Structure parameters

• Common name: Compound X
• Formula: C63 H44 F10 O2 P2 Pt2
• Calculated formula: C63 H44 F10 O2 P2 Pt2
• SMILES: [Pt]1([OH][Pt]2(c3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)[CH]1=[CH]2C(O)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 22.4467 ± 0.0001 Å
• b: 10.9348 ± 0.0001 Å
• c: 24.741 ± 0.0002 Å
• α: 90°
• β: 116.6 ± 0.0004°
• γ: 90°
• Cell volume: 5429.92 ± 0.07 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No