Information card for entry 7026579

Structure parameters

• Formula: B12 H16 Na2 O14 S6
• Calculated formula: B12 H16 Na2 O14 S6
• SMILES: [BH]1234[BH]567[BH]891[BH]1%104[BH]4%112[BH]235[BH]35%11[BH]%11%12%13[BH]143[BH]9%10%13[BH]78%12[BH]625%11.O(=S=O).[Na+].O=S=O.O=S=O.O.O(=S=O).[Na+].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: 8.4514 ± 0.0017 Å
• b: 8.7899 ± 0.0018 Å
• c: 8.8497 ± 0.0018 Å
• α: 94.73 ± 0.03°
• β: 94.4 ± 0.03°
• γ: 104.93 ± 0.03°
• Cell volume: 629.8 ± 0.2 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: 0.0252
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No