Information card for entry 2023335

Structure parameters

• Chemical name: Tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κ<i>O</i>}cobalt(II)
• Formula: C10 H18 Co N4 O8 S4
• Calculated formula: C10 H18 Co N4 O8 S4
• Title of publication: Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II)
• Authors of publication: Kinshakova, Ekaterina; Torambetov, Batirbay; Kaur, Simranjeet; Ashurov, Jamshid; Kadirova, Shakhnoza
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• a: 5.195 ± 0.0002 Å
• b: 10.0347 ± 0.0003 Å
• c: 18.909 ± 0.0006 Å
• α: 90°
• β: 91.892 ± 0.003°
• γ: 90°
• Cell volume: 985.19 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.045
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No