Information card for entry 7034341

Structure parameters

• Formula: C28 H32 Cl3 N3 O2 Pd
• Calculated formula: C28 H32 Cl3 N3 O2 Pd
• SMILES: [Pd]12(Nc3c(c4[n]2c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)ccc4)cccc3)OC(=O)C.C(Cl)(Cl)Cl
• Title of publication: Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions.
• Authors of publication: Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 7230 - 7241
• a: 14.194 ± 0.004 Å
• b: 15.316 ± 0.004 Å
• c: 15.711 ± 0.004 Å
• α: 61.002 ± 0.005°
• β: 77.05 ± 0.007°
• γ: 80.162 ± 0.007°
• Cell volume: 2903.6 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1888
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No