Information card for entry 4302907

Structure parameters

• Formula: C12 H26 Cl N2 Pd
• Calculated formula: C12 H26 Cl N2 Pd
• SMILES: [Pd]1(Cl)([N](=CC([NH]1C(C)(C)C)(C)C)C(C)C)C
• Title of publication: Kinetic and Mechanistic Studies of Geometrical Isomerism in Neutral Square-Planar Methylpalladium Complexes Bearing Unsymmetrical Bidentate Ligands of α-Aminoaldimines
• Authors of publication: Feng-Zhao Yang; Yu-Heng Wang; Mu-Chieh Chang; Kuo-Hsuan Yu; Shou-Ling Huang; Yi-Hung Liu; Yu Wang; Shiuh-Tzung Liu; Jwu-Ting Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7639 - 7644
• a: 7.9149 ± 0.0002 Å
• b: 13.4615 ± 0.0003 Å
• c: 15.2384 ± 0.0003 Å
• α: 90°
• β: 103.384 ± 0.002°
• γ: 90°
• Cell volume: 1579.5 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No