Information card for entry 4065474

Structure parameters

• Formula: C34 H54 Cl2 N3 Pd
• Calculated formula: C34 H54 Cl2 N3 Pd
• Title of publication: Inhibited Catalyst Activation in (N-Heterocyclic carbene)PdCl2(diethylamine) Complexes by Intramolecular Hydrogen Bonding
• Authors of publication: Chen, Ming-Tsz; Vicic, David A.; Chain, William J.; Turner, Michael L.; Navarro, Oscar
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6770
• a: 12.799 ± 0.004 Å
• b: 15.183 ± 0.004 Å
• c: 19.257 ± 0.006 Å
• α: 90°
• β: 105.083 ± 0.003°
• γ: 90°
• Cell volume: 3613.2 ± 1.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No