Information card for entry 4323962

Structure parameters

• Formula: C36 H57 Li3 N6 S3
• Calculated formula: C36 H57 Li3 N6 S3
• 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: 17.577 ± 0.002 Å
• b: 18.532 ± 0.002 Å
• c: 31.285 ± 0.003 Å
• α: 90°
• β: 105.433 ± 0.01°
• γ: 90°
• Cell volume: 9823.2 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2856
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections: 0.2843
• Weighted residual factors for significantly intense reflections: 0.2299
• Goodness-of-fit parameter for all reflections: 0.79
• Goodness-of-fit parameter for significantly intense reflections: 1.348
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No