Information card for entry 7055304

Structure parameters

• Formula: C22 H38 N4 S4 Tl2
• Calculated formula: C22 H38 N4 S4 Tl2
• Title of publication: Mono and trivalent thallium‒sulfur interactions and their influence on the formation of nano thallium sulphide: single crystal X-ray structural and spectral studies on thallium(i)/(iii)‒cyclohexylpiperazine dithiocarbamates
• Authors of publication: Ramalingam, Kuppukkannu; Rizzoli, Corrado; Sivagurunathan, Gurunathan Senthilkumar
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2489
• a: 6.2864 ± 0.0016 Å
• b: 6.4124 ± 0.0016 Å
• c: 17.4 ± 0.004 Å
• α: 91.512 ± 0.004°
• β: 95.518 ± 0.004°
• γ: 96.508 ± 0.004°
• Cell volume: 693.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No