Information card for entry 4323915

Structure parameters

• Formula: C27 H31 Li O4 S
• Calculated formula: C27 H15 Li O4 S
• 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: 10.542 ± 0.002 Å
• b: 12.821 ± 0.003 Å
• c: 18.729 ± 0.004 Å
• α: 90°
• β: 102.22 ± 0.03°
• γ: 90°
• Cell volume: 2474 ± 1 ų
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections: 0.2923
• Weighted residual factors for significantly intense reflections: 0.2318
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No