Information card for entry 4323910

Structure parameters

• Formula: C28 H38 Li N3 S
• Calculated formula: C28 H38 Li N3 S
• SMILES: S([Li]12[N](CC[N]1(CC[N]2(C)C)C)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.152 ± 0.003 Å
• b: 15.26 ± 0.003 Å
• c: 14.764 ± 0.005 Å
• α: 90°
• β: 106.9 ± 0.02°
• γ: 90°
• Cell volume: 2619.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0987
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections: 0.1624
• Weighted residual factors for significantly intense reflections: 0.1426
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No