Information card for entry 7219370

Structure parameters

• Formula: C48 H42 Cl4 N4 Pd2
• Calculated formula: C48 H42 Cl4 N4 Pd2
• SMILES: [Pd]1([N](c2c(cccc2C)C)=C2c3c4c5c(cccc5C2=[N]1c1c(cccc1C)C)C1=[N]([Pd](Cl)(Cl)[N](=C1c4ccc3)c1c(cccc1C)C)c1c(cccc1C)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: 14.249 ± 0.003 Å
• b: 12.729 ± 0.003 Å
• c: 27.486 ± 0.006 Å
• α: 90°
• β: 90.5 ± 0.03°
• γ: 90°
• Cell volume: 4985.1 ± 1.9 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: 0.08
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No