Information card for entry 4078918

Structure parameters

• Formula: C46 H38 F8 N2 P2 Pt2
• Calculated formula: C46 H38 F8 N2 P2 Pt2
• SMILES: [Pt]12([Pt]([P](c3c2c(F)c(F)c(F)c3F)(c2ccccc2)c2ccccc2)(c2c(F)c(F)c(F)c(F)c2[P]1(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C)C#[N]C(C)(C)C
• 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: 15.1933 ± 0.0007 Å
• b: 16.7722 ± 0.0008 Å
• c: 17.8033 ± 0.0008 Å
• α: 90°
• β: 109.532 ± 0.001°
• γ: 90°
• Cell volume: 4275.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No