Information card for entry 7004332

Structure parameters

• Formula: C18 H28 F3 N3 O3 Pd S
• Calculated formula: C18 H28 F3 N3 O3 Pd S
• SMILES: [Pd]1([N](=CC([N]1(CC)CC)(C)C)c1ccccc1)([N]#CC)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Unsymmetrical bidentate ligands of α-aminoaldimines leading to sterically controlled selectivity of geometrical isomerism in square planar coordination
• Authors of publication: Lee, Jen-Jeh; Yang, Feng-Zhao; Lin, Ya-Fan; Chang, Ya-Chun; Yu, Kuo-Hsuan; Chang, Mu-Chieh; Lee, Gene-Hsiang; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5945 - 5956
• a: 9.8194 ± 0.0016 Å
• b: 10.897 ± 0.003 Å
• c: 22.11 ± 0.003 Å
• α: 90°
• β: 99.398 ± 0.013°
• γ: 90°
• Cell volume: 2334.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No