Information card for entry 1576426

Structure parameters

• Formula: C15 H10 N2 O2 S2
• Calculated formula: C15 H10 N2 O2 S2
• Title of publication: CuNiO2 nano catalyst for efficient Csp2–S bond formation in water: toward green synthesis of bioactive molecules
• Authors of publication: Swain, Amlan; Behera, Bedabyas; Samal, Saroj Lochan; Rout, Laxmidhar; Mohapatra, Debendra K.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 830 - 839
• a: 18.1182 ± 0.0007 Å
• b: 4.242 ± 0.0002 Å
• c: 19.6101 ± 0.0008 Å
• α: 90°
• β: 111.198 ± 0.005°
• γ: 90°
• Cell volume: 1405.2 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No