Information card for entry 2023089

Structure parameters

• Chemical name: Bis(μ-4-methylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[(methanol-κ<i>O</i>)(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)]
• Formula: C30 H36 Co2 N8 O6 S4
• Calculated formula: C30 H36 Co2 N8 O6 S4
• Title of publication: Synthesis, crystal structure and thermal properties of the dinuclear complex bis(μ-4-methylpyridine N-oxide-κ2 O:O)bis[(methanol-κO)(4-methylpyridine N-oxide-κO)bis(thiocyanato-κN)cobalt(II)]
• Authors of publication: Näther, Christian; Jess, Inke
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 5
• a: 11.46665 ± 0.00013 Å
• b: 12.37103 ± 0.00015 Å
• c: 13.58185 ± 0.00017 Å
• α: 90°
• β: 97.0894 ± 0.0011°
• γ: 90°
• Cell volume: 1911.91 ± 0.04 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: 0.0385
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No