Information card for entry 7716559

Structure parameters

• Formula: C21 H23 Cd N3 O2 S
• Calculated formula: C21 H23 Cd N3 O2 S
• Title of publication: Using eugenol scaffold to explore the explosive sensing properties of Cd(II)-based coordination polymers: experimental studies and real sample analysis.
• Authors of publication: Malik, Suvamoy; Mondal, Udayan; Jana, Narayan Ch; Banerjee, Priyabrata; Saha, Amrita
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 12995 - 13011
• a: 14.9384 ± 0.0003 Å
• b: 13.4833 ± 0.0002 Å
• c: 10.62046 ± 0.00018 Å
• α: 90°
• β: 97.8443 ± 0.0016°
• γ: 90°
• Cell volume: 2119.14 ± 0.06 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No