Information card for entry 7012401

Structure parameters

• Common name: (2,6-Mes2C6H3CS2)Li(Et2O)2
• Formula: C33 H45 Li O2 S2
• Calculated formula: C33 H45 Li O2 S2
• Title of publication: Lithium, titanium and vanadium dithiocarboxylatesElectronic supplementary information (ESI) available: additional crystallographic details. See http://www.rsc.org/suppdata/dt/b2/b210691d/
• Authors of publication: Ives, Christina; Fillis, Elaine L.; Hagadorn, John R.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 527
• a: 11.5924 ± 0.0013 Å
• b: 11.5958 ± 0.0012 Å
• c: 24.14 ± 0.003 Å
• α: 90°
• β: 93.241 ± 0.002°
• γ: 90°
• Cell volume: 3239.8 ± 0.6 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No