Information card for entry 2230288

Structure parameters

• Chemical name: Bis(2,3-dimethylanilinium) tetrachloridozincate dihydrate
• Formula: C16 H28 Cl4 N2 O2 Zn
• Calculated formula: C16 H28 Cl4 N2 O2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[NH3+]c1c(c(ccc1)C)C.[NH3+]c1c(c(ccc1)C)C.O.O
• Title of publication: Bis(2,3-dimethylanilinium) tetrachloridozincate dihydrate
• Authors of publication: Souissi, Sofiane; Smirani Sta, Wajda; S. Al-Deyab, Salem; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m754
• a: 21.654 ± 0.002 Å
• b: 7.432 ± 0.003 Å
• c: 14.069 ± 0.002 Å
• α: 90°
• β: 90.3 ± 0.02°
• γ: 90°
• Cell volume: 2264.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes