Information card for entry 2311939

Structure parameters

• Formula: C16 H14 Cl2 F6 N2 O2 Pd
• Calculated formula: C16 H14 Cl2 F6 N2 O2 Pd
• SMILES: c1cc(COCC(F)(F)F)cc2c3cc(COCC(F)(F)F)cc[n]3[Pd]([n]12)(Cl)Cl
• Title of publication: Side-chain conformations in the isomorphous polyfluorinated {4,4'-bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ²N,N'}dichloridopalladium and -platinum complexes.
• Authors of publication: Lu, Norman; Zheng, Jing Hung; Lu, Yi Jing; Chiang, Hsing Fang; Chu, Chun Wei; Thrasher, Joseph S.; Wen, Yuh Sheng; Liu, Ling Kang
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 930 - 936
• a: 9.218 ± 0.0009 Å
• b: 17.4137 ± 0.0018 Å
• c: 12.1884 ± 0.0012 Å
• α: 90°
• β: 100.992 ± 0.004°
• γ: 90°
• Cell volume: 1920.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No