Information card for entry 2232718

Structure parameters

• Chemical name: Benzyltriethylammonium aquatrichloridozinc
• Formula: C13 H24 Cl3 N O Zn
• Calculated formula: C13 H24 Cl3 N O Zn
• SMILES: CC[N+](CC)(CC)Cc1ccccc1.Cl[Zn](Cl)(Cl)[OH2]
• Title of publication: Benzyltriethylammonium aquatrichloridozincate
• Authors of publication: Jin, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1793
• a: 8.3236 ± 0.0017 Å
• b: 13.484 ± 0.003 Å
• c: 15.808 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1774.2 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes