Information card for entry 2201327

Structure parameters

• Chemical name: Tris(1-lithio-4,7-dimethyl-1,4,7-triazacyclononane)
• Formula: C24 H54 Li3 N9
• Calculated formula: C24 H54 Li3 N9
• SMILES: [Li]123[N]4(CC[N]1(C)CC[N]2(C)CC4)[Li]12[N]4(CC[N]1(C)CC[N]2(C)CC4)[Li]12[N]34CC[N]1(C)CC[N]2(C)CC4
• Title of publication: Tris(1-lithio-4,7-dimethyl-1,4,7-triazacyclononane)
• Authors of publication: Dubberley, Stuart R.; Mountford, Philip; Adams, Nico
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m342 - m343
• a: 11.8682 ± 0.0002 Å
• b: 11.8465 ± 0.0003 Å
• c: 22.1205 ± 0.0004 Å
• α: 90°
• β: 103.374 ± 0.002°
• γ: 90°
• Cell volume: 3025.73 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0324
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No