Information card for entry 7150268

Structure parameters

• Formula: C14 H17 Cl N2 Pd
• Calculated formula: C14 H17 Cl N2 Pd
• SMILES: [Pd]1(Cl)([N](Cc2ccccc12)(C)C)[n]1ccccc1
• Title of publication: An ortho-palladated dimethylbenzylamine complex as a highly efficient turnover catalyst for the decomposition of P=S insecticides. Mechanistic studies of the methanolysis of some P=S-containing phosphorothioate triesters.
• Authors of publication: Lu, Zhong-Lin; Neverov, Alexei A.; Brown, R. Stan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 18
• Pages of publication: 3379 - 3387
• a: 9.5463 ± 0.0018 Å
• b: 16.258 ± 0.004 Å
• c: 18.117 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2811.8 ± 1.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No