Information card for entry 7033283

Structure parameters

• Formula: C13 H12 N3 S2 Tl
• Calculated formula: C13 H12 N3 S2 Tl
• Title of publication: Intermolecular Tl···H-C anagostic interactions in luminescent pyridyl functionalized thallium(I) dithiocarbamates.
• Authors of publication: Kumar, Vinod; Singh, Vikram; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1716 - 1723
• a: 10.8429 ± 0.0014 Å
• b: 9.9762 ± 0.0017 Å
• c: 27.222 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2944.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No