Information card for entry 7219371

Structure parameters

• Formula: C52 H50 Cl4 N4 Pd2
• Calculated formula: C52 H50 Cl4 N4 Pd2
• SMILES: [Pd]1([N](=C2c3cccc4C5=[N]([Pd]([N](c6c(C)cc(cc6C)C)=C5c5c(c(ccc5)C2=[N]1c1c(C)cc(cc1C)C)c34)(Cl)Cl)c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)(Cl)Cl
• Title of publication: Enhancing catalytic activity towards Heck-reaction by using 4,5,9,10-tetra(arylimino)pyrenylidenyldipalladium tetrachlorides
• Authors of publication: Zhao, Tong; Xing, Qifeng; Song, Kuifeng; Ban, Qing; Liang, Tongling; Liu, Qingbin; Sun, Wen Hua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.458 ± 0.003 Å
• b: 12.382 ± 0.003 Å
• c: 30.667 ± 0.006 Å
• α: 90°
• β: 90.15 ± 0.03°
• γ: 90°
• Cell volume: 5490 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No