Information card for entry 4078917

Structure parameters

• Formula: C72 H50 F8 P4 Pt2
• Calculated formula: C72 H50 F8 P4 Pt2
• SMILES: [Pt]12([Pt]([P](c3c2c(F)c(F)c(F)c3F)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)c2c([P]1(c1ccccc1)c1ccccc1)c(F)c(F)c(F)c2F)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species
• Authors of publication: Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5561
• a: 12.9761 ± 0.0001 Å
• b: 22.8436 ± 0.0002 Å
• c: 20.3033 ± 0.0001 Å
• α: 90°
• β: 92.9339 ± 0.0004°
• γ: 90°
• Cell volume: 6010.43 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for all reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7736
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No