Information card for entry 2230259

Structure parameters

• Chemical name: Diaquabis[5-(2-pyridylmethyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)
• Formula: C14 H16 N10 O2 Zn
• Calculated formula: C14 H16 N10 O2 Zn
• SMILES: c1cccc2Cc3n([Zn]4(n5c(Cc6cccc[n]46)nnn5)([n]12)([OH2])[OH2])nnn3
• Title of publication: Diaquabis[5-(2-pyridylmethyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]zinc(II)
• Authors of publication: Liu, Yang; Li, Ya-Ling; Wang, Xiu-Guang; Yang, En-Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m803
• a: 6.6695 ± 0.0004 Å
• b: 13.8949 ± 0.0008 Å
• c: 10.8718 ± 0.0005 Å
• α: 90°
• β: 127.055 ± 0.002°
• γ: 90°
• Cell volume: 804.05 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0227
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes