Information card for entry 4501376

Structure parameters

• Chemical name: piracetam2 SrCl2 (H2O)2
• Formula: C12 H24 Cl2 N4 O6 Sr
• Calculated formula: C12 H24 Cl2 N4 O6 Sr
• SMILES: C1(=O)CCCN1CC(=O)N.O.[Cl-].[Sr+2].C1(=O)CCCN1CC(=O)N.O.[Cl-]
• Title of publication: Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients
• Authors of publication: Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 5621
• a: 8.9444 ± 0.0005 Å
• b: 9.8519 ± 0.0004 Å
• c: 11.8823 ± 0.0007 Å
• α: 90°
• β: 106.52 ± 0.007°
• γ: 90°
• Cell volume: 1003.84 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No