Information card for entry 4322435

Structure parameters

• Formula: C40 H84 Cl2 Li6 N4 O10 S2
• Calculated formula: C40 H84 Cl2 Li6 N4 O10 S2
• SMILES: S123[O]4[Li]5([O]6CCCC6)[Cl]6[Li]([O]1[Li]1([O]7[Li]6([O]6CCCC6)[N](S67[O]5[Li]([O]5CCCC5)(N6C(C)(C)C)[Cl]1[Li]4(N2C(C)(C)C)[O]1CCCC1)C(C)(C)C)[O]1CCCC1)([O]1CCCC1)N3C(C)(C)C
• Title of publication: Template Effects of Lithium Salts on the Crystallization of Diazasulfates: X-ray Structures of {THF.Li2[O2S(NtBu)2]}8.2LiOH.2LiCl and {(THF.Li)2[O2S(NtBu)2].(THF)LiCl}2
• Authors of publication: Justin K. Brask; Tristram Chivers; Glenn P. A. Yap
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5588 - 5592
• a: 11.583 ± 0.003 Å
• b: 17.126 ± 0.005 Å
• c: 13.891 ± 0.004 Å
• α: 90°
• β: 94.613 ± 0.004°
• γ: 90°
• Cell volume: 2746.6 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• 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: 0.151
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No