Information card for entry 2022855

Structure parameters

• Chemical name: Tetrakis(3-cyanopyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)\ cobalt(II)
• Formula: C26 H16 Co N10 O4 S2
• Calculated formula: C26 H16 Co N10 O4 S2
• Title of publication: Synthesis, crystal structure and thermal behavior of tetrakis(3-cyanopyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II), which shows strong pseudosymmetry
• Authors of publication: Näther, Christian; Jess, Inke
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 10
• a: 6.5899 ± 0.0001 Å
• b: 17.9658 ± 0.0002 Å
• c: 11.9444 ± 0.0001 Å
• α: 90°
• β: 96.131 ± 0.001°
• γ: 90°
• Cell volume: 1406.04 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes