Information card for entry 1516982

Structure parameters

• Formula: C26 H26 Cd N4 S4
• Calculated formula: C26 H26 Cd N4 S4
• SMILES: [Cd]12([S]=C(S1)N(c1ccccc1)C)([S]=C(S2)N(c1ccccc1)C)([n]1ccccc1)[n]1ccccc1
• 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: 16.6557 ± 0.0003 Å
• b: 17.6455 ± 0.0003 Å
• c: 9.2332 ± 0.0002 Å
• α: 90°
• β: 91.473 ± 0.001°
• γ: 90°
• Cell volume: 2712.72 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No