Information card for entry 2021757

Structure parameters

• Chemical name: Diaquabis(1<i>H</i>-imidazole-2-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)
• Formula: C8 H10 Co N4 O6
• Calculated formula: C8 H10 Co N4 O6
• SMILES: c1c[nH]c2C(=O)O[Co]3([OH2])([n]12)([OH2])OC(=O)c1[nH]cc[n]31
• Title of publication: Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids
• Authors of publication: Meundaeng, Natthaya; Prior, Timothy John; Rujiwatra, Apinpus
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 9
• a: 5.1145 ± 0.0007 Å
• b: 10.6123 ± 0.0012 Å
• c: 10.4179 ± 0.0013 Å
• α: 90°
• β: 97.858 ± 0.01°
• γ: 90°
• Cell volume: 560.14 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes