Information card for entry 4331247

Structure parameters

• Formula: C18 H8 Cl4 I2 N2
• Calculated formula: C18 H8 Cl4 I2 N2
• SMILES: C1(=C(Cl)C(C(=C(C1=Nc1ccc(cc1)I)Cl)Cl)=Nc1ccc(cc1)I)Cl
• 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: 6.232 ± 0.003 Å
• b: 15.45 ± 0.005 Å
• c: 20.624 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1985.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.3495
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No