Information card for entry 2006360

Structure parameters

• Chemical name: Bis(Tetra(thf))lithium(I) Tetrachloro di(μ-chloro) bis(thf)dibismuthate(III)
• Formula: C20 H40 Bi Cl4 Li O5
• Calculated formula: C20 H40 Bi Cl4 Li O5
• SMILES: [Bi]1([O]2CCCC2)(Cl)(Cl)(Cl)[Cl][Bi]([O]2CCCC2)(Cl)(Cl)(Cl)[Cl]1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Tetrahydrofuran Adducts of a Chlorobismuthate(III) Anion and Antimony Triiodide
• Authors of publication: James, Sian C.; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1024 - 1027
• a: 10.598 ± 0.002 Å
• b: 24.577 ± 0.003 Å
• c: 11.378 ± 0.004 Å
• α: 90°
• β: 104.24 ± 0.02°
• γ: 90°
• Cell volume: 2872.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1236
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.0716
• Goodness-of-fit parameter for all reflections: 0.854
• Goodness-of-fit parameter for significantly intense reflections: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No