Information card for entry 4065300

Structure parameters

• Formula: C33 H51 Cl2 N3 Pd
• Calculated formula: C33 H51 Cl2 N3 Pd
• Title of publication: (N-Heterocyclic Carbene)PdCl2(TEA) Complexes: Studies on the Effect of the “Throw-Away” Ligand in Catalytic Activity
• Authors of publication: Chen, Ming-Tsz; Vicic, David A.; Turner, Michael L.; Navarro, Oscar
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 5052
• a: 11.506 ± 0.002 Å
• b: 15.499 ± 0.003 Å
• c: 19.929 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3554 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No