Information card for entry 7026576

Structure parameters

• Formula: B12 Cl12 Cs2 O2 S
• Calculated formula: B12 Cl12 Cs2 O2 S1.02
• Title of publication: Alkali metal-sulfur dioxide complexes stabilized by halogenated closo-dodecaborate anions.
• Authors of publication: Derendorf, Janis; Kessler, Mathias; Knapp, Carsten; Rühle, Monika; Schulz, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8671 - 8678
• a: 10.1432 ± 0.0014 Å
• b: 10.1432 ± 0.0014 Å
• c: 20.668 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1841.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No