Information card for entry 7017697

Structure parameters

• Formula: C64 H68 Cl8 F N O12 Si8
• Calculated formula: C64 H68 Cl8 F N O12 Si8
• Title of publication: Further studies of fluoride ion entrapment in octasilsesquioxane cages; X-ray crystal structure studies and factors that affect their formation.
• Authors of publication: Taylor, Peter G.; Bassindale, Alan R.; El Aziz, Youssef; Pourny, Manuel; Stevenson, Richard; Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2048 - 2059
• a: 27.2513 ± 0.0011 Å
• b: 21.4772 ± 0.0009 Å
• c: 12.7007 ± 0.0005 Å
• α: 90°
• β: 103.431 ± 0.002°
• γ: 90°
• Cell volume: 7230.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2399
• Residual factor for significantly intense reflections: 0.1427
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No