Information card for entry 7021780

Structure parameters

• Formula: C69 H61 B F24 N3 Tl
• Calculated formula: C69 H61 B F24 N3 Tl
• 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: 14.8168 ± 0.0004 Å
• b: 16.3174 ± 0.0007 Å
• c: 16.4832 ± 0.0006 Å
• α: 73.129 ± 0.004°
• β: 79.39 ± 0.003°
• γ: 63.442 ± 0.003°
• Cell volume: 3404.4 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No