Information card for entry 2240202

Structure parameters

• Common name: calcium perchlorate hexahydrate
• Chemical name: Calcium perchlorate hexahydrate
• Formula: Ca Cl2 H12 O14
• Calculated formula: Ca Cl2 H12 O14
• SMILES: [Ca]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])OCl(=O)(=O)=O.Cl(=O)(=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: 10.9603 ± 0.0004 Å
• b: 7.9667 ± 0.0007 Å
• c: 26.7735 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2337.8 ± 0.3 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes