Information card for entry 4078915

Structure parameters

• Formula: C64 H56 F8 N2 P2 Pd2
• Calculated formula: C64 H56 F8 N2 P2 Pd2
• 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: 19.7128 ± 0.0003 Å
• b: 21.4914 ± 0.0003 Å
• c: 13.9542 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5911.78 ± 0.15 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9409
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No