Information card for entry 7701187

Structure parameters

• Formula: C37 H41 Cl4 N3 O Pd
• Calculated formula: C37 H41 Cl4 N3 O 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: 12.1594 ± 0.0002 Å
• b: 19.9702 ± 0.0003 Å
• c: 15.1796 ± 0.0003 Å
• α: 90°
• β: 99.306 ± 0.001°
• γ: 90°
• Cell volume: 3637.48 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No