Information card for entry 2016389

Structure parameters

• Chemical name: tetraaquabis(5-aminotetrazole-1-acetato-κO)cobalt(II)
• Formula: C6 H16 Co N10 O8
• Calculated formula: C6 H16 Co N10 O8
• SMILES: [Co](OC(=O)Cn1c(nnn1)N)(OC(=O)Cn1c(nnn1)N)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Bis(5-aminotetrazole-1-acetato-κ<i>O</i>)tetraaquacobalt(II) and <i>catena</i>-poly[[cadmium(II)]-bis(μ-5-aminotetrazole-1-acetato-κ^3^<i>N</i>^4^:<i>O</i>,<i>O</i>')]
• Authors of publication: Li, Qiao-Yun; Yang, Gao-Wen; Yuan, Rong-Xin; Wang, Jia-Ping; Cui, Peng-Fei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m26 - m29
• a: 6.0869 ± 0.0009 Å
• b: 6.5376 ± 0.0009 Å
• c: 9.4896 ± 0.0015 Å
• α: 79.302 ± 0.008°
• β: 83.344 ± 0.009°
• γ: 76.137 ± 0.008°
• Cell volume: 359.24 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes