Information card for entry 7010317

Structure parameters

• Formula: C15 H16 Cl2 N P Pd S
• Calculated formula: C15 H16 Cl2 N P Pd S
• SMILES: [Pd]1(Cl)(Cl)[S]=C(N(C)C)[P]1(c1ccccc1)c1ccccc1
• Title of publication: Coordination chemistry, reactivities, and stereoelectronic properties of chelating phosphine ligands containing thioamide substituents
• Authors of publication: Leung, Pak-Hing; Qin, Ying; He, Guosen; Mok, K. F.; Vittal, Jagadese J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 309
• a: 10.1583 ± 0.0002 Å
• b: 12.3121 ± 0.0002 Å
• c: 14.4431 ± 0.0002 Å
• α: 90°
• β: 98.122 ± 0.001°
• γ: 90°
• Cell volume: 1788.28 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No