Information card for entry 7034343

Structure parameters

• Formula: C26 H29 Cl4 N3 Pd
• Calculated formula: C26 H29 Cl4 N3 Pd
• SMILES: [Pd]12(Nc3c(c4[n]2c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)ccc4)cccc3)Cl.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: 11.41 ± 0.008 Å
• b: 17.663 ± 0.013 Å
• c: 12.991 ± 0.009 Å
• α: 90°
• β: 94.182 ± 0.013°
• γ: 90°
• Cell volume: 2611 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No