Information card for entry 4065301

Structure parameters

• Formula: C33 H53 Cl2 N3 Pd
• Calculated formula: C33 H53 Cl2 N3 Pd
• SMILES: [Pd](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)[N](CC)(CC)CC
• 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: 16.241 ± 0.005 Å
• b: 20.146 ± 0.006 Å
• c: 10.578 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3461 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No