Information card for entry 4087474

Structure parameters

• Formula: C26 H18 Br2 N2
• Calculated formula: C26 H18 Br2 N2
• SMILES: c1cc(ccc1Br)Nc1c2c(cccc2)c(c2c1cccc2)Nc1ccc(cc1)Br
• Title of publication: Profound Substituent Effect on the Structural, Optical, Photophysical, and Electrochemical Properties of N,N′-Anthraquinone Diimine-Containing Platinum–Organometallic Polymers
• Authors of publication: Wang, Xiaorong; Kenny, Tommy; Fortin, Daniel; Aly, Shawkat M.; Brisard, Gessie; Harvey, Pierre D.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1567
• a: 12.3156 ± 0.0017 Å
• b: 4.917 ± 0.002 Å
• c: 18.676 ± 0.003 Å
• α: 90°
• β: 108.731 ± 0.012°
• γ: 90°
• Cell volume: 1071 ± 0.5 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: 0.1059
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No