Information card for entry 2238634

Structure parameters

• Chemical name: {9-Hexyl-2-[2-phenyl-6-(pyridin-2-yl)pyridin-4-yl]-9<i>H</i>-carbazole}diiodidozinc
• Formula: C34 H31 I2 N3 Zn
• Calculated formula: C34 H31 I2 N3 Zn
• SMILES: c1cccc2c3cc(cc(c4ccccc4)[n]3[Zn](I)(I)[n]12)c1ccc2c(c1)c1ccccc1n2CCCCCC
• Title of publication: {9-Hexyl-2-[2-phenyl-6-(pyridin-2-yl)pyridin-4-yl]-9<i>H</i>-carbazole}diiodidozinc
• Authors of publication: Wang, Hui; Zhao, Xue-Song; Luo, Jun-Shan; Tian, Yu-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m553
• a: 15.387 ± 0.0014 Å
• b: 9.8771 ± 0.0009 Å
• c: 21.3246 ± 0.0019 Å
• α: 90°
• β: 99.306 ± 0.001°
• γ: 90°
• Cell volume: 3198.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No