Information card for entry 4118341

Structure parameters

• Formula: C26 H72 F14 N6 O10 S2 Si2
• Calculated formula: C26 H68 F8 N6 O8 S2 Si
• Title of publication: A Self-Assembled Fluoride-Water Cyclic Cluster of [F(H2O)]44- in a Molecular Box
• Authors of publication: Md. Alamgir Hossain; Musabbir A. Saeed; Avijit Pramanik; Bryan M. Wong; Syed A. Haque; Douglas R. Powell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11892 - 11895
• a: 12.419 ± 0.002 Å
• b: 13.116 ± 0.002 Å
• c: 15.871 ± 0.003 Å
• α: 66.443 ± 0.004°
• β: 88.215 ± 0.004°
• γ: 71.224 ± 0.005°
• Cell volume: 2229.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No