Information card for entry 7026574

Structure parameters

• Formula: B12 Cl12 K2 O16 S8
• Calculated formula: B12 Cl12 K2 O16 S8
• SMILES: [B]1234([B]567([B]891([B]1%102([B]2%113([B]345(Cl)[B]45%11([B]%11%12%13([B]124([B]9%10%13([B]78%12([B]635%11Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.[K+].O=S=O.O=S=O.O=S=O.O=S=O.[K+].O=S=O.O=S=O.O=S=O.O=S=O
• 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: 9.537 ± 0.0019 Å
• b: 20.104 ± 0.004 Å
• c: 10.242 ± 0.002 Å
• α: 90°
• β: 100.48 ± 0.03°
• γ: 90°
• Cell volume: 1931 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No