Information card for entry 2023254

Structure parameters

• Chemical name: Poly[ethanol(μ-4-methylpyridine <i>N</i>-oxide)di-μ-thiocyanato-cobalt(II)]
• Formula: C10 H13 Co N3 O2 S2
• Calculated formula: C10 H13 Co N3 O2 S2
• Title of publication: Synthesis and crystal structure of poly[ethanol(μ-4-methylpyridine N-oxide)di-μ-thiocyanato-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: 10
• a: 11.67627 ± 0.00007 Å
• b: 11.61861 ± 0.00006 Å
• c: 10.60662 ± 0.00007 Å
• α: 90°
• β: 107.593 ± 0.0007°
• γ: 90°
• Cell volume: 1371.61 ± 0.015 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0223
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No