Information card for entry 7063719

Structure parameters

• Formula: C25 H19 Cd N5 O5 S2
• Calculated formula: C22 H12 Cd N4 O4 S2
• Title of publication: Thiazolothiazole-based metal–organic frameworks for photocatalytic coupling of benzylamine and degradation of organic dyes
• Authors of publication: Li, Jun-Fei; Xu, Jing-Wen; Feng, Hui-Jun; Liu, Qiao-Yun; Wang, Jun-Wen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 6838 - 6845
• a: 12.8769 ± 0.0005 Å
• b: 14.4049 ± 0.0006 Å
• c: 14.4244 ± 0.0006 Å
• α: 90°
• β: 100.355 ± 0.002°
• γ: 90°
• Cell volume: 2632.01 ± 0.19 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.044
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No