Information card for entry 7127929

Structure parameters

• Formula: C29 H41 N4 Tl
• Calculated formula: C29 H41 N4 Tl
• SMILES: [Tl]1N(c2c([N]1=C1N(C(C)C)C(=C(N1C(C)C)C)C)cccc2)c1c(cccc1C(C)C)C(C)C
• Title of publication: "Give me five" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.
• Authors of publication: Denker, Lars; Trzaskowski, Bartosz; Frank, René
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 22
• Pages of publication: 2816 - 2819
• a: 17.0492 ± 0.0001 Å
• b: 9.3814 ± 0.0001 Å
• c: 18.4404 ± 0.0001 Å
• α: 90°
• β: 107.63 ± 0.001°
• γ: 90°
• Cell volume: 2810.93 ± 0.04 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No