Information card for entry 4078919

Structure parameters

• Formula: C74 H54 Cl4 F14 I P5 Pt2
• Calculated formula: C74 H54 Cl4 F14 I P5 Pt2
• SMILES: [Pt]12([I][Pt]([P](c3c1c(F)c(F)c(F)c3F)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c([P]2(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.801 ± 0.0002 Å
• b: 14.8766 ± 0.0003 Å
• c: 20.1361 ± 0.0004 Å
• α: 106.509 ± 0.001°
• β: 93.0296 ± 0.0012°
• γ: 105.503 ± 0.001°
• Cell volume: 3508.17 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.074
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections: 0.1118
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No