Information card for entry 4331244

Structure parameters

• Formula: C18 H12 I2 N2
• Calculated formula: C18 H12 I2 N2
• SMILES: c1(ccc(cc1)N=C1C=CC(=Nc2ccc(cc2)I)C=C1)I
• 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: 5.926 ± 0.003 Å
• b: 7.516 ± 0.007 Å
• c: 37.051 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Residual factor for all reflections: 0.1826
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No