Information card for entry 7004323

Structure parameters

• Formula: C12 H27 Cl N2 Pd
• Calculated formula: C12 H27 Cl N2 Pd
• SMILES: [Pd]1(Cl)([N](=CC([N]1(CC)CC)(C)C)C(C)C)C
• 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: 7.397 ± 0.0016 Å
• b: 15.509 ± 0.005 Å
• c: 7.866 ± 0.002 Å
• α: 90°
• β: 117.581 ± 0.018°
• γ: 90°
• Cell volume: 799.8 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No