Information card for entry 4323964

Structure parameters

• Formula: C20 H35 I Li2 N2 O2 S
• Calculated formula: C20 H35 I Li2 N2 O2 S
• SMILES: [I]1[Li]2([S]4c5c(cccc5C[N](C)(C)[Li]14[O]1CCCC1)C[N]2(C)C)[O]1CCCC1
• 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: 13.0346 ± 0.001 Å
• b: 11.523 ± 0.003 Å
• c: 16.127 ± 0.003 Å
• α: 90°
• β: 94.682 ± 0.01°
• γ: 90°
• Cell volume: 2414.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections: 0.1703
• Weighted residual factors for significantly intense reflections: 0.1647
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No