Information card for entry 7010372

Structure parameters

• Chemical name: [Tl(L-c)]
• Formula: C23 H40 N3 O Tl
• Calculated formula: C23 H40 N3 O Tl
• SMILES: [Tl]123[N]4(CC[N]1(CC[N]2(CC4)C)C)Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C
• Title of publication: New main-group and early transition-metal complexes of mono-pendant arm triazacyclononane ligands
• Authors of publication: Bylikin, Sergei Y.; Robson, David A.; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 170
• a: 9.14 ± 0.003 Å
• b: 16.921 ± 0.005 Å
• c: 15.533 ± 0.002 Å
• α: 90°
• β: 93.939 ± 0.006°
• γ: 90°
• Cell volume: 2396.6 ± 1.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0201
• Weighted residual factors for all reflections included in the refinement: 0.0241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No