Information card for entry 4072206

Structure parameters

• Formula: C36 H42 Cl2 N3 Pd
• Calculated formula: C36 H42 Cl2 N3 Pd
• Title of publication: N-Heterocyclic Carbenes (NHCs) ContainingN-C-Palladacycle Complexes: Synthesis and Reactivity in Aryl Amination Reactions
• Authors of publication: Broggi, Julie; Clavier, Hervé; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5525
• a: 13.6779 ± 0.0006 Å
• b: 14.7453 ± 0.0006 Å
• c: 32.7016 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6595.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No