Information card for entry 7034340

Structure parameters

• Formula: C25 H28 Cl3 N3 O3 Pd
• Calculated formula: C25 H28 Cl3 N3 O3 Pd
• SMILES: [Pd]12(Nc3c(c4[n]2c(C(=[N]1c1ccc(cc1)C(C)C)C)ccc4)cccc3)OC(=O)C.C(Cl)(Cl)Cl.O
• 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: 6.977 ± 0.0016 Å
• b: 12.184 ± 0.003 Å
• c: 15.543 ± 0.004 Å
• α: 87.923 ± 0.004°
• β: 84.029 ± 0.005°
• γ: 84.203 ± 0.005°
• Cell volume: 1306.9 ± 0.6 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: 0.1235
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No