Information card for entry 2221112

Structure parameters

• Chemical name: Diaquabis[5-(2-pyridyl)-1<i>H</i>tetrazolato- κ^2^<i>N</i>^1^,<i>N</i>^5^]cobalt(II)
• Formula: C12 H12 Co N10 O2
• Calculated formula: C12 H12 Co N10 O2
• SMILES: [Co]12(n3c(c4cccc[n]14)nnn3)(n1c(c3cccc[n]23)nnn1)([OH2])[OH2]
• Title of publication: Diaquabis[5-(2-pyridyl)-1<i>H</i>-tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]cobalt(II)
• Authors of publication: Sun, Zhen-Hai; Meng, Ling-Bo; Lin, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m280
• a: 7.999 ± 0.002 Å
• b: 12.87 ± 0.003 Å
• c: 7.168 ± 0.002 Å
• α: 90°
• β: 95.99 ± 0.01°
• γ: 90°
• Cell volume: 733.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes