Information card for entry 7061943

Structure parameters

• Formula: C20 H18 F6 N2 O Pd
• Calculated formula: C20 H18 F6 N2 O Pd
• SMILES: [Pd](OC(F)(F)F)([n]1ccc(cc1)C)([n]1ccc(cc1)C)c1ccc(cc1)C(F)(F)F
• Title of publication: Preparation, characterization and reactivity of trifluoromethoxy palladium(ii) complexes
• Authors of publication: Xu, Songsong; Shao, Yingbo; Zheng, Hanliang; Leng, Xuebing; Xue, Xiao-Song; Shen, Qilong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 20760 - 20767
• a: 13.1935 ± 0.0005 Å
• b: 11.4522 ± 0.0005 Å
• c: 14.0786 ± 0.0006 Å
• α: 90°
• β: 105.432 ± 0.003°
• γ: 90°
• Cell volume: 2050.51 ± 0.15 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1456
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No