Information card for entry 7026005

Structure parameters

• Formula: C69 H115 Ca5 F5 O17
• Calculated formula: C69 H115 Ca5 F5 O17
• Title of publication: Synthesis of fluoro(aryloxo)alkaline earth metal cages by C-F bond activation.
• Authors of publication: Deacon, Glen B.; Junk, Peter C.; Moxey, Graeme J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5620 - 5622
• a: 18.1623 ± 0.0004 Å
• b: 17.1032 ± 0.0004 Å
• c: 26.7408 ± 0.0007 Å
• α: 90°
• β: 104.72 ± 0.002°
• γ: 90°
• Cell volume: 8034 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No