Information card for entry 2015659

Structure parameters

• Chemical name: bis(μ~2~-aqua-d~2~)tetrakis(aqua-d~2~)dilithium(I) bis[bis(tri-tert-butoxysilanethiolato-κ^2^O,S)lithate(I)] dihydrate-d~2~
• Formula: C48 H108 D16 Li4 O20 S4 Si4
• Calculated formula: C48 H108 D16 Li4 O20 S4 Si4
• SMILES: [Li]12([O](C(C)(C)C)[Si](OC(C)(C)C)(OC(C)(C)C)S1)[O](C(C)(C)C)[Si](OC(C)(C)C)(OC(C)(C)C)S2.O([2H])[2H].[Li]1([O]([2H])[2H])([O]([2H])[2H])[O]([2H])([2H])[Li]([O]([2H])[2H])([O]([2H])[2H])[O]1([2H])[2H].[Li]12([O](C(C)(C)C)[Si](OC(C)(C)C)(OC(C)(C)C)S1)[O](C(C)(C)C)[Si](OC(C)(C)C)(OC(C)(C)C)S2.O([2H])[2H]
• Title of publication: The first compound with an unusual type of anion, [Li(S<i>R</i>)~2~]^{‒^}: bis(μ~2~-aqua-<i>d</i>~2~)tetrakis(aqua-<i>d</i>~2~)dilithium(I) bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ^2^<i>O</i>,<i>S</i>)lithate(I)] dihydrate-<i>d</i>~2~
• Authors of publication: Magdalena Kloskowska; Jarosław Chojnacki; Wiesław Wojnowski; Barbara Becker
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m541 - m544
• a: 8.5218 ± 0.0006 Å
• b: 14.0107 ± 0.0011 Å
• c: 17.4337 ± 0.0014 Å
• α: 99.743 ± 0.007°
• β: 99.712 ± 0.007°
• γ: 105.197 ± 0.007°
• Cell volume: 1929.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes