Information card for entry 2220391

Structure parameters

• Chemical name: 2,2'-(Butane-1,4-diyl)diisoquinolinium tetrachloridozincate(II)
• Formula: C22 H22 Cl4 N2 Zn
• Calculated formula: C22 H22 Cl4 N2 Zn
• SMILES: c1cc2ccccc2c[n+]1CCCC[n+]1ccc2ccccc2c1.[Cl-][Zn](Cl)(Cl)[Cl-]
• Title of publication: 2,2'-(Butane-1,4-diyl)diisoquinolinium tetrachloridozincate(II)
• Authors of publication: Fan, Zhi-Fang; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1620
• a: 10.729 ± 0.003 Å
• b: 11.04 ± 0.003 Å
• c: 18.955 ± 0.004 Å
• α: 90°
• β: 99.179 ± 0.009°
• γ: 90°
• Cell volume: 2216.4 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes