Information card for entry 4065299

Structure parameters

• Formula: C32 H42 Cl3 N3 Pd
• Calculated formula: C32 H42 Cl3 N3 Pd
• SMILES: [Pd](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)[n]1cc(Cl)ccc1
• 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: 34.05 ± 0.02 Å
• b: 15.953 ± 0.011 Å
• c: 12.74 ± 0.009 Å
• α: 90°
• β: 105.965 ± 0.008°
• γ: 90°
• Cell volume: 6653 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No