Information card for entry 7703900

Structure parameters

• Chemical name: [TlCl(N3Dipp2)2]
• Formula: C48 H68 Cl N6 Tl
• Calculated formula: C48 H68 Cl N6 Tl
• SMILES: [Tl]12(Cl)([N](=NN2c2c(C(C)C)cccc2C(C)C)c2c(cccc2C(C)C)C(C)C)[N](=NN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.
• Authors of publication: Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5653 - 5661
• a: 14.6044 ± 0.0006 Å
• b: 16.5465 ± 0.0009 Å
• c: 21.0726 ± 0.0011 Å
• α: 90°
• β: 109.055 ± 0.002°
• γ: 90°
• Cell volume: 4813.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No