Information card for entry 4331255

Structure parameters

• Formula: C22 H12 F4 N2
• Calculated formula: C22 H12 F4 N2
• SMILES: C#Cc1ccc(cc1)Nc1c(F)c(c(Nc2ccc(C#C)cc2)c(F)c1F)F
• 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: 7.7079 ± 0.001 Å
• b: 5.7966 ± 0.0009 Å
• c: 19.243 ± 0.003 Å
• α: 90°
• β: 90.594 ± 0.012°
• γ: 90°
• Cell volume: 859.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1488
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No