Information card for entry 7001832

Structure parameters

• Formula: C45 H38 N8 P2 Pd2 S2
• Calculated formula: C45 H38 N8 P2 Pd2 S2
• SMILES: [Pd]1(c2ccsc2c2[n]1cccc2)([P](CCC[P]([Pd]1(c2ccsc2c2[n]1cccc2)N=N#N)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)N=N#N
• 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: 9.747 ± 0.0001 Å
• b: 15.0138 ± 0.0002 Å
• c: 15.8289 ± 0.0002 Å
• α: 110.141 ± 0.001°
• β: 100.559 ± 0.001°
• γ: 96.726 ± 0.001°
• Cell volume: 2096.76 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No