Information card for entry 7034342

Structure parameters

• Formula: C22 H22 Cl N3 Pd
• Calculated formula: C22 H22 Cl N3 Pd
• SMILES: [Pd]12(Nc3c(c4[n]2c(C(=[N]1c1ccc(cc1)C(C)C)C)ccc4)cccc3)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: 17.674 ± 0.004 Å
• b: 8.9111 ± 0.0019 Å
• c: 24.267 ± 0.005 Å
• α: 90°
• β: 93.133 ± 0.005°
• γ: 90°
• Cell volume: 3816.2 ± 1.4 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: 0.1237
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No