Information card for entry 7026573

Structure parameters

• Formula: B12 Cl12 Na2 O8 S4
• Calculated formula: B12 Cl12 Na2 O8 S4
• SMILES: [B]1234(Cl)[B]567(Cl)[B]89%10([B]%1115(Cl)[B]15%10([B]%10%129([B]9%131([B]12([B]237([B]%1091([B]68%122Cl)Cl)Cl)([B]4%115%13Cl)Cl)Cl)Cl)Cl)Cl.[Na+].S(=O)=O.S(=O)=O.S(=O)=O.S(=O)=O.[Na+]
• 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: 9.99 ± 0.002 Å
• b: 11.603 ± 0.002 Å
• c: 12.55 ± 0.003 Å
• α: 90°
• β: 99.32 ± 0.03°
• γ: 90°
• Cell volume: 1435.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No