Information card for entry 7104881

Structure parameters

• Common name: L2Li4
• Formula: C40 H52 Li4 N8 O2
• Calculated formula: C40 H52 Li4 N8 O2
• SMILES: [O]123c4c5[N]67[Li]8([N](C)(C)CC6)[O]69[Li]%10%11[N](CC[N]%10(C)C)(c%10c1c(ccc%10)c4ccc5)[Li]2[N](C)(C)CC[N]8c1cccc(c61)c1c9c([N]2%11[Li]37[N](CC2)(C)C)ccc1
• Title of publication: New dibenzofuran-bridged bis(amidoamine) and bis(ethylenediamine) ligands and their dinuclear zinc and aluminium complexes
• Authors of publication: Hlavinka, Mark L.; Hagadorn, John R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 21
• Pages of publication: 2686 - 2687
• a: 10.6476 ± 0.0003 Å
• b: 21.3387 ± 0.0006 Å
• c: 17.4505 ± 0.0005 Å
• α: 90°
• β: 94.41 ± 0.001°
• γ: 90°
• Cell volume: 3953.12 ± 0.19 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 5
• 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: 0.0955
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No