Information card for entry 7249519

Structure parameters

• Formula: C40 H40 Cd N7 O11 S
• Calculated formula: C32 H22 Cd N5 O9 S
• Title of publication: Sulfur-hinged L-shaped ligand-based Cd(ii)–organic framework: a fluorescent tool for targeting environmental nitroaromatics
• Authors of publication: Rani, Nitu; Bhasin, Aman K. K.; Husain, Ahmad; Kumari, Annu; Verma, Reshu; Bhasin, K. K.; Kumar, Girijesh
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 47
• Pages of publication: 6719 - 6728
• a: 37.8579 ± 0.0008 Å
• b: 9.9633 ± 0.0001 Å
• c: 28.307 ± 0.0006 Å
• α: 90°
• β: 109.014 ± 0.002°
• γ: 90°
• Cell volume: 10094.6 ± 0.3 ų
• Cell temperature: 220 ± 80 K
• Ambient diffraction temperature: 220 ± 80 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No