Information card for entry 4304933

Structure parameters

• Chemical name: ((1,3-bis-(2',4',6'-triisopropylbiphenyl-2))(triazenido-N,N'))thallium
• Formula: C42 H54 N3 Tl
• Calculated formula: C42 H54 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: 9.4318 ± 0.0014 Å
• b: 14.435 ± 0.0016 Å
• c: 14.8042 ± 0.0015 Å
• α: 101.603 ± 0.008°
• β: 104.35 ± 0.01°
• γ: 90.816 ± 0.011°
• Cell volume: 1908.4 ± 0.4 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: 0.0428
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No