Information card for entry 7045677

Structure parameters

• Formula: C32 H46 N2 O2 Tl2
• Calculated formula: C32 H46 N2 O2 Tl2
• Title of publication: Synthesis and characterization of thallium-salen derivatives for use as underground fluid flow tracers.
• Authors of publication: Boyle, Timothy J.; Perales, Diana; Rimsza, Jessica M.; Alam, Todd M.; Boye, Daniel M.; Sears, Jeremiah M.; Greathouse, Jeffery A.; Kemp, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 4162 - 4174
• a: 6.198 ± 0.0002 Å
• b: 19.1223 ± 0.0006 Å
• c: 27.6952 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3282.44 ± 0.18 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101.27 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No