Information card for entry 4344771

Structure parameters

• Formula: C6 H4 Ca1.5 F9 O8
• Calculated formula: C6 H4 Ca1.5 F9 O8
• Title of publication: Open-Framework Structures of Anhydrous Sr(CF3COO)2 and Ba(CF3COO)2.
• Authors of publication: Dissanayake, K. Tauni; Mendoza, Laura M.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 170
• a: 9.4572 ± 0.0003 Å
• b: 9.3568 ± 0.0003 Å
• c: 16.5456 ± 0.0005 Å
• α: 90°
• β: 90.71 ± 0.002°
• γ: 90°
• Cell volume: 1463.99 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1737
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2372
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No