Information card for entry 7058555

Structure parameters

• Formula: C10 H13 Cu I N4 S
• Calculated formula: C10 H13 Cu I N4 S
• Title of publication: Synthesis of 2-acetylpyridine-N-substituted thiosemicarbazonates of copper(ii) with high antimicrobial activity against methicillin resistant S. aureus, K. pneumoniae 1 and C. albicans
• Authors of publication: Kaushal, Mani; Lobana, Tarlok S.; Nim, Lovedeep; Bala, Ritu; Arora, Daljit S.; Garcia-Santos, Isabel; Duff, Courtney E.; Jasinski, Jerry P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11727
• a: 10.7 ± 0.0003 Å
• b: 8.889 ± 0.0004 Å
• c: 14.2638 ± 0.0004 Å
• α: 90°
• β: 93.277 ± 0.002°
• γ: 90°
• Cell volume: 1354.44 ± 0.08 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No