Information card for entry 4129215

Structure parameters

• Formula: C16 H18 F12 N2 O4 Zn
• Calculated formula: C16 H18 F12 N2 O4 Zn
• SMILES: [Zn]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[N](CC[N]3(C)C)(C)C
• Title of publication: MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.
• Authors of publication: Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 15
• Pages of publication: 5613 - 5624
• a: 13.2588 ± 0.0008 Å
• b: 10.3996 ± 0.0006 Å
• c: 17.3331 ± 0.001 Å
• α: 90°
• β: 108.54 ± 0.001°
• γ: 90°
• Cell volume: 2266 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0335
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No