Information card for entry 7026648

Structure parameters

• Formula: C60 H104 Li4 N8 O4
• Calculated formula: C60 H104 Li4 N8 O4
• SMILES: [Li]12([O]([Li]3[O](c4c(cc(cc4C)C)C)[Li]([O]([Li]45[N](CC[N]4(C)C)(CC[N]5(C)C)CCN(C)C)c4c(cc(cc4C)C)C)[O]3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)[N](CC[N]1(C)C)(CC[N]2(C)C)CCN(C)C
• Title of publication: Tris(2-dimethylaminoethyl)amine: a simple new tripodal polyamine ligand for Group 1 metals.
• Authors of publication: Cousins, David M.; Davidson, Matthew G.; Frankis, Catherine J.; García-Vivó, Daniel; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8278 - 8280
• a: 10.331 ± 0.0003 Å
• b: 12.013 ± 0.0003 Å
• c: 14.184 ± 0.0004 Å
• α: 69.14 ± 0.001°
• β: 75.71 ± 0.001°
• γ: 77.183 ± 0.001°
• Cell volume: 1576.51 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No