Information card for entry 2240201

Structure parameters

• Common name: calcium perchlorate tetrahydrate
• Chemical name: Calcium perchlorate tetrahydrate
• Formula: Ca Cl2 H8 O12
• Calculated formula: Ca Cl2 H8 O12
• SMILES: [Ca]([OH2])([OH2])([OH2])([OH2])(OCl(=O)(=O)=[O]1)[O]=[Cl](=O)(=O)O[Ca]1([OH2])([OH2])([OH2])([OH2])(OCl(=O)(=O)=O)[O]=[Cl](=O)(=O)[O-]
• Title of publication: Crystal structures of Ca(ClO~4~)~2~·4H~2~O and Ca(ClO~4~)~2~·6H~2~O
• Authors of publication: Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 489 - 493
• a: 5.4886 ± 0.0011 Å
• b: 7.8518 ± 0.0015 Å
• c: 11.574 ± 0.002 Å
• α: 99.663 ± 0.016°
• β: 90.366 ± 0.016°
• γ: 90.244 ± 0.016°
• Cell volume: 491.69 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes