Information card for entry 1576431

Structure parameters

• Formula: C60 H40 N8 S16
• Calculated formula: C60 H40 N8 S16
• 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: 12.6019 ± 0.0004 Å
• b: 21.5377 ± 0.0005 Å
• c: 22.3675 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6070.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No