Information card for entry 2229349

Structure parameters

• Chemical name: Bis(2-amino-5-chloropyridinium) tetrachloridozincate
• Formula: C10 H12 Cl6 N4 Zn
• Calculated formula: C10 H12 Cl6 N4 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].Clc1c[nH+]c(N)cc1.Clc1ccc(N)[nH+]c1
• Title of publication: Bis(2-amino-5-chloropyridinium) tetrachloridozincate
• Authors of publication: Kefi, Riadh; Jeanneau, Erwann; Lefebvre, Frederic; Ben Nasr, Cherif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m355 - m356
• a: 13.317 ± 0.001 Å
• b: 14.817 ± 0.002 Å
• c: 8.571 ± 0.001 Å
• α: 90°
• β: 92.923 ± 0.009°
• γ: 90°
• Cell volume: 1689 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0226
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes