Information card for entry 7222440

Structure parameters

• Formula: C51 H43 F12 N6 O3 P2 Pd
• Calculated formula: C51 H43 F12 N6 O3 P2 Pd
• Title of publication: Synthesis, Structure and Catalysis of NHC-Pd(II) Complex Based on Tetradentate Mixed Ligand
• Authors of publication: liu, qingxiang; Cai, Kang-Qing; Zhao, Zhi-Xiang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.5269 ± 0.001 Å
• b: 14.4882 ± 0.0012 Å
• c: 15.3304 ± 0.0012 Å
• α: 98.553 ± 0.001°
• β: 95.074 ± 0.001°
• γ: 115.075 ± 0.001°
• Cell volume: 2456.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No