Information card for entry 7001838

Structure parameters

• Formula: C19 H31 N5 P2 Pd S2
• Calculated formula: C19 H31 N5 P2 Pd S2
• SMILES: [Pd](Sc1nnnn1C(C)C)([P](C)(C)C)([P](C)(C)C)c1ccsc1c1ncccc1
• Title of publication: Cyclopalladated azido complexes containing C,N-donor (HCσim N = 2-(2′-thienyl)pyridine, azobenzene, 3,3′-dimethyl azobenzene, N,N′-dimethylbenzylamine, 2-phenylpyridine) ligands: reactivity towards organic unsaturated compounds and catalytic properties
• Authors of publication: Lee, Kyung-Eun; Jeon, Hyeong-Tak; Han, Sam-Yong; Ham, Jungyeob; Kim, Yong-Joo; Lee, Soon W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 33
• Pages of publication: 6578 - 6592
• a: 14.0772 ± 0.0002 Å
• b: 11.9202 ± 0.0002 Å
• c: 15.9738 ± 0.0003 Å
• α: 90°
• β: 107.59 ± 0.001°
• γ: 90°
• Cell volume: 2555.12 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No