Information card for entry 4102491

Structure parameters

• Formula: C25 H38 Cl F6 N5 P Pd
• Calculated formula: C25 H38 Cl F6 N5 P Pd
• SMILES: [Pd]123(Cl)([n]4c5C[N]2(Cc2[n]1c(C[N]3(Cc4ccc5)C(C)(C)C)ccc2)C(C)(C)C)C.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Stable Mononuclear Organometallic Pd(III) Complexes and Their C-C Bond Formation Reactivity
• Authors of publication: Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7303 - 7305
• a: 13.8529 ± 0.0007 Å
• b: 13.5891 ± 0.0007 Å
• c: 30.6143 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5763.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No