Information card for entry 2019159

Structure parameters

• Chemical name: [Bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetato](tetrahydrofuran)lithium(I) tetrahydrofuran monosolvate
• Formula: C32 H55 Li N4 O2 S2
• Calculated formula: C32 H55 Li N4 O2 S2
• Title of publication: Heteroscorpionate complexes based on bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetate
• Authors of publication: Tampier, Stefan; Burzlaff, Nicolai
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 981 - 985
• a: 12.4026 ± 0.0003 Å
• b: 16.3932 ± 0.0004 Å
• c: 17.8867 ± 0.0004 Å
• α: 90°
• β: 105.013 ± 0.002°
• γ: 90°
• Cell volume: 3512.56 ± 0.15 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes