Information card for entry 2222295

Structure parameters

• Chemical name: Diaquabis{2-[5-(2-pyridyl)-2<i>H</i>-tetrazol-2-yl]acetato- κ^2^<i>N</i>^4^,<i>N</i>^5^}zinc(II)
• Formula: C16 H16 N10 O6 Zn
• Calculated formula: C16 H16 N10 O6 Zn
• SMILES: c1cccc2c3nn(n[n]3[Zn]3([n]12)([OH2])([n]1c(nn(CC(=O)[O-])n1)c1cccc[n]31)[OH2])CC(=O)[O-]
• Title of publication: Diaquabis{2-[5-(2-pyridyl)-2<i>H</i>-tetrazol-2-yl]acetato-κ^2^<i>N</i>^4^,<i>N</i>^5^}zinc(II)
• Authors of publication: Wang, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m831
• a: 7.6407 ± 0.0015 Å
• b: 8.2583 ± 0.0017 Å
• c: 15.155 ± 0.003 Å
• α: 90°
• β: 97.17 ± 0.03°
• γ: 90°
• Cell volume: 948.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0307
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes