Information card for entry 4072207

Structure parameters

• Formula: C42 H54 Cl3 N3 Pd
• Calculated formula: C42 H54 Cl3 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: 10.3012 ± 0.0005 Å
• b: 20.3145 ± 0.001 Å
• c: 19.4043 ± 0.0008 Å
• α: 90°
• β: 98.103 ± 0.002°
• γ: 90°
• Cell volume: 4020.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No