Information card for entry 7100504

Structure parameters

• Formula: C11 H15 I N2 O Pd
• Calculated formula: C11 H15 I N2 O Pd
• SMILES: [Pd]12(c3c(N(C=[O]1)C)cccc3C[N]2(C)C)I
• Title of publication: Synthesis of novel palladium OCN-pincer complexes: Unprecedented sequential C(sp3)-H activation and aerobic oxidation in the reaction of N,N-dialkyl-3-[(N,N-dimethylamino)methyl]-2-iodoanilines with Pd2(dba)3
• Authors of publication: Daniel Sole; Merce Font-Bardia; Xavier Solans; Lluis Vallverdu
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.19 ± 0.008 Å
• b: 11.219 ± 0.003 Å
• c: 11.646 ± 0.002 Å
• α: 90°
• β: 100.37 ± 0.03°
• γ: 90°
• Cell volume: 1309.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No