Information card for entry 7219756

Structure parameters

• Formula: C18 H23 F6 N4 P
• Calculated formula: C18 H23 F6 N4 P
• Title of publication: NCN Pincer Palladium Complexes Based on 1,3-dipicolyl-3,4,5,6-tetrahydropyrimidin-2-ylidenes: Synthesis, Characterization and Catalytic Activities
• Authors of publication: Yang, Liangru; Zhang, Xinchi; Mao, Pu; Xiao, Yong-Mei; Bian, Huanyu; Yuan, Jinwei; Mai, Wen-Peng; Qu, Lingbo
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.6098 ± 0.0002 Å
• b: 11.4528 ± 0.0004 Å
• c: 18.8441 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.97 ± 0.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No