Information card for entry 7716560

Structure parameters

• Formula: C22 H22.5 Cd N5 O2
• Calculated formula: C22 H22.5 Cd N5 O2
• 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: 14.4942 ± 0.0009 Å
• b: 10.3261 ± 0.0007 Å
• c: 15.7836 ± 0.001 Å
• α: 90°
• β: 115.732 ± 0.002°
• γ: 90°
• Cell volume: 2128 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No