Information card for entry 7033285

Structure parameters

• Formula: C18 H17 Fe N2 S2 Tl
• Calculated formula: C18 H17 Fe N2 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: 9.6634 ± 0.0008 Å
• b: 10.5339 ± 0.0014 Å
• c: 37.35 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3802 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No