Information card for entry 7061016

Structure parameters

• Formula: C28 H36 Li4 O24 S4
• Calculated formula: C28 H36 Li4 O24 S4
• Title of publication: Structure and ionic conductivity of the octahydrate of tetralithium salt of calix[4]arenesulfonic acid
• Authors of publication: Pisareva, Anna V.; Shilov, Gennady V.; Karelin, Alexander I.; Pisarev, Rostislav V.; Bukun, Nadezhghda G.; Chernyak, Alexander V.; Aldoshin, Sergey M.; Dobrovolsky, Yury A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 21100 - 21107
• a: 11.8752 ± 0.0005 Å
• b: 12.2144 ± 0.0004 Å
• c: 13.2972 ± 0.0006 Å
• α: 97.241 ± 0.003°
• β: 99.345 ± 0.004°
• γ: 90.658 ± 0.003°
• Cell volume: 1886.96 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No