Information card for entry 2228462

Structure parameters

• Chemical name: Tetraaquabis[5-(3-pyridyl)tetrazolido-κ<i>N</i>^5^]zinc(II) tetrahydrate
• Formula: C12 H24 N10 O8 Zn
• Calculated formula: C12 H24 N10 O8 Zn
• SMILES: c1c(c2[n-]nnn2)ccc[n]1[Zn]([n]1cc(ccc1)c1[n-]nnn1)([OH2])([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Tetraaquabis[5-(3-pyridyl)tetrazolido-κ<i>N</i>^5^]zinc(II) tetrahydrate
• Authors of publication: Mu, Yi-Qiang; Zhao, Jun; Li, Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1667
• a: 8.093 ± 0.0013 Å
• b: 8.5836 ± 0.0014 Å
• c: 8.7082 ± 0.0014 Å
• α: 85.942 ± 0.002°
• β: 65.075 ± 0.002°
• γ: 72.369 ± 0.002°
• Cell volume: 521.69 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0264
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes