Information card for entry 2018993

Structure parameters

• Chemical name: Bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II)
• Formula: C12 H12 Cl4 N10 Zn
• Calculated formula: C12 H12 Cl4 N10 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].n1[nH]nnc1c1cccc[nH+]1.n1[nH]nnc1c1cccc[nH+]1
• Title of publication: A simple and safe method for the preparation of bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II)
• Authors of publication: Paciorek, Patrycja; Szklarzewicz, Janusz; Nitek, Wojciech
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 513 - 516
• a: 9.196 ± 0.005 Å
• b: 10.491 ± 0.005 Å
• c: 11.186 ± 0.005 Å
• α: 102.407 ± 0.005°
• β: 98.185 ± 0.005°
• γ: 105.697 ± 0.005°
• Cell volume: 991.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes