Information card for entry 2230953

Structure parameters

• Chemical name: Dimethylammonium bis(4-methylmorpholin-4-ium) tetrachloridozincate
• Formula: C7 H20 Cl4 N2 O Zn
• Calculated formula: C7 H20 Cl4 N2 O Zn
• SMILES: C1C[NH+](C)CCO1.C[NH2+]C.[Cl-][Zn](Cl)(Cl)[Cl-]
• Title of publication: Dimethylammonium bis(4-methylmorpholin-4-ium) tetrachloridozincate
• Authors of publication: Zhang, Yan-wei; Wang, Yan-fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m1009
• a: 20.272 ± 0.004 Å
• b: 10.22 ± 0.002 Å
• c: 7.3727 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1527.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes