Information card for entry 7004330

Structure parameters

• Formula: C18 H28 N2 O4 Pd
• Calculated formula: C18 H28 N2 O4 Pd
• SMILES: [Pd]1(OC(=O)C)(OC(=O)C)[N](=CC([N]1(CC)CC)(C)C)c1ccccc1
• 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: 12.955 ± 0.002 Å
• b: 16.097 ± 0.004 Å
• c: 18.995 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3961.2 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1002
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No