Information card for entry 7021779

Structure parameters

• Common name: Tki(Me3(PriPh)3)Tl BArF, Compound 1
• Formula: C138 H124 B2 F48 N6 Tl2
• Calculated formula: C138 H124 B2 F48 N6 Tl2
• Title of publication: Thallophilic interactions and Tl-aryl π-interactions are competitive with cation-cation repulsion: [LTl2L](2+) dications as salts of weakly co-ordinating anions.
• Authors of publication: Cullinane, Jennifer; Jolleys, Andrew; Mair, Francis S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11971 - 11975
• a: 12.8319 ± 0.0004 Å
• b: 16.0697 ± 0.0005 Å
• c: 17.3854 ± 0.0006 Å
• α: 98.692 ± 0.003°
• β: 105.005 ± 0.003°
• γ: 90.03 ± 0.002°
• Cell volume: 3420 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No