Information card for entry 2311941

Structure parameters

• Chemical name: {4,4'-Bis[(2,2-difluoroethoxy)methyl]-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'}dichloridopalladium and -platinum
• Formula: C16 H16 Cl2 F4 N2 O2 Pd
• Calculated formula: C16 H16 Cl2 F4 N2 O2 Pd
• SMILES: [Pd]1([n]2c(c3[n]1ccc(c3)COCC(F)F)cc(cc2)COCC(F)F)(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: 7.7401 ± 0.0002 Å
• b: 16.5086 ± 0.0004 Å
• c: 28.3013 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3616.29 ± 0.16 ų
• Cell temperature: 295 ± 0.1 K
• Ambient diffraction temperature: 295 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No