Information card for entry 7012021

Structure parameters

• Formula: C112 H128 Li8 N8 O16
• Calculated formula: C112 H128 Li8 N8 O16
• SMILES: [Li]123[O]4([Li]5([O](c6[n]3c3c(c(c6)C)cccc3)[Li]36[O]7(c8[n]5c5c(c(c8)C)cccc5)[Li]4([O]([Li]47[O]5[Li]7([O]89[Li]([n]%10c9cc(C)c9ccccc%109)([n]9c([O]3[Li]8([O]64c3[n]7c4c(c(c3)C)cccc4)[O]3CCCC3)cc(C)c3ccccc93)[n]3c5cc(C)c4ccccc34)[O]3CCCC3)c3[n]2c2c(c(c3)C)cccc2)[O]2CCCC2)[O]2CCCC2)c2[n]1c1c(c(c2)C)cccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and structure of the novel octanuclear lithium aryloxide cluster [(hmqLi)8(THF)4] (hmq??? = 2-hydroxy-4-methylquinoline monoanion): formation of a rare four-rung intercepted Li???O ladder
• Authors of publication: Liddle, Stephen T.; Clegg, William
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 3923
• a: 12.5281 ± 0.0014 Å
• b: 13.733 ± 0.0015 Å
• c: 16.4814 ± 0.0018 Å
• α: 77.117 ± 0.002°
• β: 68.609 ± 0.002°
• γ: 83.432 ± 0.003°
• Cell volume: 2572.1 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.2139
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No