Information card for entry 7001831

Structure parameters

• Formula: C18 H27 N5 P2 Pd
• Calculated formula: C18 H27 N5 P2 Pd
• SMILES: [Pd]([P](C)(C)C)([P](C)(C)C)(N=N#N)c1ccccc1N=Nc1ccccc1
• 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: 13.473 ± 0.004 Å
• b: 9.376 ± 0.003 Å
• c: 17.467 ± 0.005 Å
• α: 90°
• β: 91.602 ± 0.018°
• γ: 90°
• Cell volume: 2205.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No