Information card for entry 2312692

Structure parameters

• Chemical name: (1,2-Dichloro-2-oxoethylidene)oxidanium hexafluoridoantimonate(V)
• Formula: C2 H Cl2 F6 O2 Sb
• Calculated formula: C2 H Cl2 F6 O2 Sb
• Title of publication: Protonated oxalyl chloride and the ClCO⁺ cation.
• Authors of publication: Steiner, Sebastian; Djordjevic, Kristina; Bockmair, Valentin; Hollenwäger, Dirk; Kornath, Andreas J.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 12
• a: 6.1616 ± 0.0008 Å
• b: 10.8379 ± 0.001 Å
• c: 6.8805 ± 0.0008 Å
• α: 90°
• β: 106.472 ± 0.013°
• γ: 90°
• Cell volume: 440.61 ± 0.09 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No