Information card for entry 2221921

Structure parameters

• Chemical name: 2,2'-(Hexane-1,6-diyl)diisoquinolinium tetrachloridozincate(II)
• Formula: C24 H26 Cl4 N2 Zn
• Calculated formula: C24 H26 Cl4 N2 Zn
• SMILES: c1cc2c(c[n+]1CCCCCC[n+]1cc3c(cc1)cccc3)cccc2.Cl[Zn](Cl)([Cl-])[Cl-]
• Title of publication: 2,2'-(Hexane-1,6-diyl)diisoquinolinium tetrachloridozincate(II)
• Authors of publication: Ma, Pei-Hua; Fan, Zhi-Fang; Zhang, Yun-Qian; Xiao, Xin; Xue, Sai-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m655
• a: 10.066 ± 0.002 Å
• b: 24.666 ± 0.005 Å
• c: 10.392 ± 0.002 Å
• α: 90°
• β: 108.826 ± 0.002°
• γ: 90°
• Cell volume: 2442.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes