Information card for entry 7045678

Structure parameters

• Formula: C36 H46 N2 O2 Tl2
• Calculated formula: C36 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: 17.7707 ± 0.0005 Å
• b: 25.4858 ± 0.0007 Å
• c: 31.6358 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14327.9 ± 0.7 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 100.91 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: 0.0308
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No