Information card for entry 1519255

Structure parameters

• Formula: Cl H5 O6
• Calculated formula: Cl H5 O6
• SMILES: Cl(=O)(=O)(=O)[O-].O.[OH3+]
• Title of publication: ClH5O6
• Authors of publication: Ward, Robert S.; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 825
• a: 7.9054 ± 0.0003 Å
• b: 10.5443 ± 0.0004 Å
• c: 5.9511 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 496.07 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.663
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No