Information card for entry 4322437

Structure parameters

• Formula: C11 H22 Li N O2 S
• Calculated formula: C11 H22 Li N O2 S
• Title of publication: Steric and Solvation Effects on the Aggregation of Lithium Thioamidates: Single-Strand Polymers with (LiS)n and (LiNCS)n Backbones
• Authors of publication: Tristram Chivers; Andrew Downard; Masood Parvez
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5565 - 5570
• a: 10.974 ± 0.003 Å
• b: 8.575 ± 0.005 Å
• c: 14.898 ± 0.005 Å
• α: 90°
• β: 91.33 ± 0.03°
• γ: 90°
• Cell volume: 1401.6 ± 1 ų
• Cell temperature: 170.2 K
• Ambient diffraction temperature: 170.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0433
• Goodness-of-fit parameter for all reflections: 1.776
• Goodness-of-fit parameter for significantly intense reflections: 1.776
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No