Information card for entry 7055305

Structure parameters

• Formula: C39 H63 N6 S6 Tl
• Calculated formula: C39 H63 N6 S6 Tl
• 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: 10.218 ± 0.003 Å
• b: 14.477 ± 0.004 Å
• c: 16.718 ± 0.004 Å
• α: 77.688 ± 0.004°
• β: 75.525 ± 0.004°
• γ: 88.076 ± 0.005°
• Cell volume: 2338.9 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No