Information card for entry 4323913

Structure parameters

• Formula: C42 H78 Li2 N4 S2
• Calculated formula: C42 H70 Li2 N4 S2
• Title of publication: Synthesis and Structural Characterization of Lithium Thiolates: Dependence of Association and Aggregation on Donor Hapticity and Ligand Size and Synthesis of the First Trimeric Lithium Thiolate [Li(THF)SR]3 and the Solvent-Separated Ion Pair [Li(12-crown-4)2][SR] (R = 2,4,6-tBu3C6H2)1
• Authors of publication: Karin Ruhlandt-Senge; Ulrich Englich; Mathias O. Senge; Scott Chadwick
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 5820 - 5827
• a: 18.906 ± 0.004 Å
• b: 9.516 ± 0.002 Å
• c: 25.617 ± 0.005 Å
• α: 90°
• β: 92.75 ± 0.03°
• γ: 90°
• Cell volume: 4603.4 ± 1.6 ų
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections: 0.1891
• Weighted residual factors for significantly intense reflections: 0.1714
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No