Information card for entry 2102815

Structure parameters

• Formula: C2 H2 Cs2 O5
• Calculated formula: C2 H2 Cs2 O5
• SMILES: C(=O)([O-])C(=O)[O-].O.[Cs+].[Cs+]
• Title of publication: Rapid structure determination of the hydrogen-containing compound Cs~2~C~2~O~4~·H~2~O by joint single-crystal X-ray and powder neutron diffraction
• Authors of publication: Weller, Mark T.; Henry, Paul F.; Light, Mark E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: 426 - 432
• a: 10.0748 ± 0.0005 Å
• b: 6.6473 ± 0.0003 Å
• c: 11.2997 ± 0.0006 Å
• α: 90°
• β: 107.189 ± 0.003°
• γ: 90°
• Cell volume: 722.94 ± 0.06 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No