Information card for entry 7030283

Structure parameters

• Formula: C2 H4 Ba2 F2 O6 S2
• Calculated formula: C2 H4 Ba2 F2 O6 S2
• SMILES: [F-].O=S(=O)(CCS(=O)(=O)[O-])[O-].[Ba+2].[F-].[Ba+2]
• Title of publication: Solvothermal synthesis and characterization of two inorganic-organic hybrid materials based on barium.
• Authors of publication: Abdollahian, Yashar; Hauser, Jesse L.; Rogow, David L.; Oliver, Allen G.; Oliver, Scott R. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12630 - 12634
• a: 10.814 ± 0.003 Å
• b: 6.6286 ± 0.0017 Å
• c: 6.7946 ± 0.0017 Å
• α: 90°
• β: 106.293 ± 0.002°
• γ: 90°
• Cell volume: 467.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0233
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No