Information card for entry 7063533

Structure parameters

• Chemical name: Bis[4-(tert-butyl)-3-hydroxythiazole-2(3H)-thionolato]zinc(II)
• Formula: C14 H20 N2 O2 S4 Zn
• Calculated formula: C14 H20 N2 O2 S4 Zn
• Title of publication: Synthesis, crystal structure, and insulin-mimetic activity of zinc(II) complexes with 4-alkyl- and 4,5-dialkyl-3-hydroxythiazole-2(3H)-thiones as a new class of hypoglycemic agent candidates
• Authors of publication: Saito, Ryota; Naito, Yuki; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kikkawa, Shoko; Ju, Huiyeong; Ohba, Rintaro; Miyamoto, Tae; Sano, Shogo; Maeda, Kazuya; Tamura, Mako; Azumaya, Isao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 8.6523 ± 0.0003 Å
• b: 21.5296 ± 0.0008 Å
• c: 10.1015 ± 0.0004 Å
• α: 90°
• β: 103.203 ± 0.0006°
• γ: 90°
• Cell volume: 1831.97 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0249
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No