Information card for entry 2005038

Structure parameters

• Chemical name: Tetrakis[(μu3-5-methylthiophene-C2)-(diethylether-O)-lithium
• Formula: C36 H60 Li4 O4 S4
• Calculated formula: C36 H60 Li4 O4 S4
• SMILES: [Li]12([O](CC)CC)[c]34(sc(C)cc4)[Li]4([O](CC)CC)[c]15(sc(C)cc5)[Li]1([O](CC)CC)[c]25(sc(C)cc5)[Li]3([O](CC)CC)[c]142sc(C)cc2
• Title of publication: Tetrakis(μ~3~-2-methyl-5-thienyl)tetrakis(diethyl ether-<i>O</i>)-<i>tetrahedro</i>-tetralithium
• Authors of publication: Powell, D. R.; Whipple, W. L.; Reich, H. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1346 - 1348
• a: 19.649 ± 0.003 Å
• b: 19.649 ± 0.003 Å
• c: 10.704 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4132.6 ± 1.2 ų
• Cell temperature: 111 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections: 0.1918
• Weighted residual factors for significantly intense reflections: 0.1701
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.243
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No