Information card for entry 2014853

Structure parameters

• Chemical name: 2-Amino-5-methylpyridinium (2-amino-5-methylpyridine)trichlorozincate(II)
• Formula: C12 H17 Cl3 N4 Zn
• Calculated formula: C12 H17 Cl3 N4 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[n]1cc(ccc1N)C.c1c(ccc([nH+]1)N)C
• Title of publication: 2-Amino-5-methylpyridinium (2-amino-5-methylpyridine)trichlorozincate(II)
• Authors of publication: Zhi-Min Jin; Bin Tu; Lin He; Mao-Lin Hu; Jian-Wei Zou
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m197 - m199
• a: 9.254 ± 0.003 Å
• b: 13.726 ± 0.004 Å
• c: 13.572 ± 0.005 Å
• α: 90°
• β: 102.57 ± 0.03°
• γ: 90°
• Cell volume: 1682.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes