Information card for entry 7034345

Structure parameters

• Formula: C31 H33 N3 Pd
• Calculated formula: C31 H33 N3 Pd
• SMILES: [Pd]12(Nc3c(c4[n]2c(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)ccc4)cccc3)c1ccccc1
• 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: 12.118 ± 0.003 Å
• b: 10.844 ± 0.003 Å
• c: 40.25 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5289 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No