Information card for entry 2223431

Structure parameters

• Common name: Quininium tetrachloridozinc(II)
• Chemical name: 2-[hydroxy(6-methoxyquinolin-1-ium-4-yl)methyl]-8-vinylquinuclidin-1-ium tetrachloridozinc(II)
• Formula: C20 H26 Cl4 N2 O2 Zn
• Calculated formula: C20 H26 Cl4 N2 O2 Zn
• SMILES: COc1ccc2c(c1)c(cc[nH+]2)[C@H]([C@@H]1C[C@H]2[C@@H](C=C)C[NH+]1CC2)O.[Cl-][Zn](Cl)(Cl)[Cl-]
• Title of publication: Quininium tetrachloridozinc(II)
• Authors of publication: Chen, Li-Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1172
• a: 9.518 ± 0.002 Å
• b: 15.68 ± 0.005 Å
• c: 15.846 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2364.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes