Information card for entry 4110492

Structure parameters

• Formula: C12 H18 B2 F8 N6 Pd2
• Calculated formula: C12 H18 B2 F8 N6 Pd2
• SMILES: [Pd]([Pd]([N]#CC)([N]#CC)[N]#CC)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Stereoretentive Elimination and Trans-olefination of the Dicationic Dipalladium Moiety [Pd2Ln]2+ Bound on 1,3,5-Trienes
• Authors of publication: Tetsuro Murahashi; Hiromitsu Nakashima; Tomoki Nagai; Yukari Mino; Taketoshi Okuno; M. Abdul Jalil; Hideo Kurosawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 4377 - 4388
• a: 10.0193 ± 0.0006 Å
• b: 20.799 ± 0.001 Å
• c: 12.0023 ± 0.0007 Å
• α: 90°
• β: 112.696 ± 0.002°
• γ: 90°
• Cell volume: 2307.5 ± 0.2 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 2.427
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No