Information card for entry 4331249

Structure parameters

• Formula: C18 H10 Br2 Cl4 N2
• Calculated formula: C18 H10 Br2 Cl4 N2
• SMILES: Brc1ccc(cc1)Nc1c(Cl)c(c(c(c1Cl)Cl)Nc1ccc(Br)cc1)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: 4.5815 ± 0.0015 Å
• b: 9.242 ± 0.004 Å
• c: 22.912 ± 0.004 Å
• α: 90°
• β: 95.06 ± 0.02°
• γ: 90°
• Cell volume: 966.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2129
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No