Information card for entry 2223117

Structure parameters

• Chemical name: Bis(4-amino-3,5-di-2-pyridyl-1,2,4-triazole- κ^2^<i>N</i>^1^,<i>N</i>^5^)diaquazinc(II) dinitrate
• Formula: C24 H24 N14 O8 Zn
• Calculated formula: C24 H24 N14 O8 Zn
• SMILES: c1(n[n]2[Zn]3([n]4c(c5cccc[n]35)n(c(c3ccccn3)n4)N)([n]3c(c2n1N)cccc3)[OH2])c1ccccn1.N(=O)(=O)[O-].O.N(=O)(=O)[O-]
• Title of publication: Bis(4-amino-3,5-di-2-pyridyl-1,2,4-triazole-κ^2^<i>N</i>^1^,<i>N</i>^5^)diaquazinc(II) dinitrate
• Authors of publication: Hua, Jia; Gao, Lu; Li, Baiyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1106 - m1107
• a: 14.856 ± 0.003 Å
• b: 9.4185 ± 0.0019 Å
• c: 20.23 ± 0.004 Å
• α: 90°
• β: 91.99 ± 0.03°
• γ: 90°
• Cell volume: 2828.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes