Information card for entry 4304935

Structure parameters

• Chemical name: ((1-(2',4',6'-triisopropylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))thallium
• Formula: C45 H52 N3 Tl
• Calculated formula: C45 H52 N3 Tl
• Title of publication: Isostructural Potassium and Thallium Salts of Sterically Crowded Triazenes: A Structural and Computational Study
• Authors of publication: Hyui Sul Lee; Sven-Oliver Hauber; Denis Vinduš; Mark Niemeyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4401 - 4412
• a: 10.033 ± 0.002 Å
• b: 12.016 ± 0.0019 Å
• c: 18.186 ± 0.003 Å
• α: 97.356 ± 0.012°
• β: 105.257 ± 0.014°
• γ: 107.564 ± 0.014°
• Cell volume: 1964.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No