Information card for entry 1516981

Structure parameters

• Formula: C22 H23 Cd N3 S4
• Calculated formula: C22 H23 Cd N3 S4
• Title of publication: Effect of methyl substituent in pyridine on the spectral and thermal properties of pyridyl adducts of Zn(II) and Cd(II) dithiocarbamate
• Authors of publication: Damian C. Onwudiwe; Christien A. Strydom; Eric C. Hosten
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 401
• Pages of publication: 1 - 10
• a: 16.9468 ± 0.0005 Å
• b: 8.9864 ± 0.0003 Å
• c: 8.1711 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1244.38 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No