Information card for entry 2232258

Structure parameters

• Chemical name: Tris(3-methylanilinium) tetrachloridozincate chloride hemihydrate
• Formula: C21 H31 Cl5 N3 O0.5 Zn
• Calculated formula: C21 H31 Cl5 N3 O0.5 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Cl-].c1([NH3+])cc(ccc1)C.c1(cc(ccc1)C)[NH3+].c1(cccc(c1)C)[NH3+].O
• Title of publication: Tris(3-methylanilinium) tetrachloridozincate chloride hemihydrate
• Authors of publication: Liu, Ming-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1622
• a: 26.844 ± 0.005 Å
• b: 7.7071 ± 0.0015 Å
• c: 28.605 ± 0.006 Å
• α: 90°
• β: 114.52 ± 0.03°
• γ: 90°
• Cell volume: 5384 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes