Information card for entry 7706340

Structure parameters

• Formula: C224 H240 F3 N2 O36 Si24
• Calculated formula: C224 H240 F3 N2 O36 Si24
• Title of publication: Functionalised polyhedral oligomeric silsesquioxane with encapsulated fluoride - first observation of fluxional SiF interactions in POSS.
• Authors of publication: Laird, Mathilde; Totée, Cédric; Gaveau, Philippe; Silly, Gilles; Van der Lee, Arie; Carcel, Carole; Unno, Masafumi; Bartlett, John R.; Wong Chi Man, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 81 - 89
• a: 13.6092 ± 0.0007 Å
• b: 13.6117 ± 0.0007 Å
• c: 39.217 ± 0.002 Å
• α: 80.895 ± 0.005°
• β: 81.259 ± 0.005°
• γ: 81.193 ± 0.004°
• Cell volume: 7027.6 ± 0.6 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections: 0.1641
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No