Information card for entry 7701186

Structure parameters

• Formula: C36 H39 Cl4 N3 Pd
• Calculated formula: C36 H39 Cl4 N3 Pd
• Title of publication: Palladium complexes of N-heterocyclic carbenes displaying an unsymmetrical N-alkylfluorenyl/N'-aryl substitution pattern and their behaviour in Suzuki-Miyaura cross coupling.
• Authors of publication: Almallah, Hamzé; Brenner, Eric; Matt, Dominique; Harrowfield, Jack; Jahjah, Mohamad; Hijazi, Akram
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 38
• Pages of publication: 14516 - 14529
• a: 22.6496 ± 0.0004 Å
• b: 10.2717 ± 0.0002 Å
• c: 16.0422 ± 0.0002 Å
• α: 90°
• β: 104.474 ± 0.001°
• γ: 90°
• Cell volume: 3613.76 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No