Information card for entry 2020907

Structure parameters

• Chemical name: (μ-5-Amino-1,2,4-triazol-1-ide-3-carboxylato-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[triamminecobalt(III)] nitrate hydroxide trihydrate
• Formula: C3 H29 Co2 N11 O11
• Calculated formula: C3 H29 Co2 N11 O11
• SMILES: [Co]12(n3[n]([Co]([NH3])([NH3])([NH3])([OH]1)[OH]2)c(nc3N)C(=O)[O-])([NH3])([NH3])[NH3].N(=O)(=O)[O-].O.O.O.[OH-]
• Title of publication: Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid
• Authors of publication: Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 1010 - 1016
• a: 7.0765 ± 0.0014 Å
• b: 12.676 ± 0.003 Å
• c: 20.591 ± 0.004 Å
• α: 90°
• β: 98.7 ± 0.03°
• γ: 90°
• Cell volume: 1825.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes