Information card for entry 2105964

Structure parameters

• Formula: C2 H2 Ca O5
• Calculated formula: C2 H2 Ca O5
• SMILES: C(=O)([O-])C(=O)[O-].O.[Ca+2]
• Title of publication: The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K
• Authors of publication: Deganello, S
• Journal of publication: Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
• Year of publication: 1981
• Journal volume: 37
• Journal issue: 4
• Pages of publication: 826 - 829
• a: 9.978 ± 0.001 Å
• b: 7.295 ± 0.001 Å
• c: 6.292 ± 0.001 Å
• α: 90°
• β: 107.07 ± 0.03°
• γ: 90°
• Cell volume: 437.82 ± 0.12 ų
• Ambient diffraction temperature: 328 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No