Information card for entry 7707991

Structure parameters

• Chemical name: lithium thiocyanate ditetrahydrofuranate
• Formula: C9 H16 Li N O2 S
• Calculated formula: C9 H16 Li N O2 S
• Title of publication: Synthesis and characterisation of two lithium-thiocyanate solvates with tetrahydrofuran: Li[SCN]·THF and Li[SCN]·2THF.
• Authors of publication: Conrad, Maurice; Joos, Markus; Bette, Sebastian; Dinnebier, Robert E.; Maier, Joachim; Schleid, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 12292 - 12300
• a: 11.3273 ± 0.0006 Å
• b: 16.3798 ± 0.0009 Å
• c: 12.6486 ± 0.0007 Å
• α: 90°
• β: 94.393 ± 0.003°
• γ: 90°
• Cell volume: 2339.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No