Information card for entry 4323963

Structure parameters

• Formula: C22 H32 Li2 N2 O2 S2
• Calculated formula: C22 H32 Li2 N2 O2 S2
• SMILES: [Li]123[S](c4c(cccc4)C[N]1(C)CC[O]2C)[Li]12[S]3c3c(cccc3)C[N]1(C)CC[O]2C
• Title of publication: Structural Aspects of Lithium Arenethiolate Complexes with Intramolecular Coordinating Amine Donors
• Authors of publication: Maurits D. Janssen; Evelien Rijnberg; Corine A. de Wolf; Marinus P. Hogerheide; Dennis Kruis; Huub Kooijman; Anthony L. Spek; David M. Grove; Gerard van Koten
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 6735 - 6741
• a: 17.7963 ± 0.0009 Å
• b: 8.1281 ± 0.0007 Å
• c: 17.134 ± 0.001 Å
• α: 90°
• β: 108.288 ± 0.005°
• γ: 90°
• Cell volume: 2353.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0658
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.1288
• Goodness-of-fit parameter for all reflections: 1.061
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No