Information card for entry 7026580

Structure parameters

• Formula: B12 I12 Na2 O17 S8
• Calculated formula: B12 I12 Na2 O17 S8
• SMILES: [B]1234([B]567(I)[B]89%10([B]%11%12%13([B]%14%158([B]8%16%11([B]%111([B]125([B]%128%11([B]7%10%131I)I)I)([B]4%15%16([B]369%14I)I)I)I)I)I)I)I.[Na+].O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.[Na+].O=S=O.O=S=O.O=S=O.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: 10.634 ± 0.002 Å
• b: 11.167 ± 0.002 Å
• c: 20.045 ± 0.004 Å
• α: 81.33 ± 0.03°
• β: 86.29 ± 0.03°
• γ: 78.57 ± 0.03°
• Cell volume: 2305 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No