Information card for entry 4331257

Structure parameters

• Formula: C22 H8 F4 N2
• Calculated formula: C22 H10 F4 N2
• SMILES: FC1=C(F)C(=Nc2ccc(C#C)cc2)C(F)=C(F)C1=Nc1ccc(cc1)C#C
• Title of publication: Reduced and Oxidized Forms of the Pt-Organometallic Version of Polyaniline
• Authors of publication: Tommy Kenny; Simon Lamare; Shawkat M. Aly; Daniel Fortin; Gessie Brisard; Pierre D. Harvey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13081 - 13095
• a: 6.067 ± 0.004 Å
• b: 11.96 ± 0.02 Å
• c: 24.27 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P b c 21
• Hall space group symbol: P 2c -2b
• Residual factor for all reflections: 0.1919
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No