Information card for entry 2221789

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis[5-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)-1<i>H</i>- tetrazolato-κ<i>N</i>^1^]zinc(II)
• Formula: C8 H10 N12 O2 Zn
• Calculated formula: C8 H10 N12 O2 Zn
• SMILES: c1c2[n](c[nH]1)[Zn]1([OH2])([n]3c(c[nH]c3)c3n1nnn3)(n1c2nnn1)[OH2]
• Title of publication: <i>trans</i>-Diaquabis[5-(1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]zinc(II)
• Authors of publication: Zhao, Hong; Xiao, Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m542
• a: 5.9068 ± 0.001 Å
• b: 17.408 ± 0.003 Å
• c: 7.091 ± 0.002 Å
• α: 90°
• β: 110.7 ± 0.02°
• γ: 90°
• Cell volume: 682.1 ± 0.3 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 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: 0.0363
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes