Information card for entry 2238203

Structure parameters

• Chemical name: (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium iodide‒1,1,2,2,tetrafluoro-1,2-diiodoethane (2/3)
• Formula: C21 H36 F6 I4 N2 Na O6
• Calculated formula: C21 H36 F6 I4 N2 Na O6
• Title of publication: (4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium iodide‒1,1,2,2,tetrafluoro-1,2-diiodoethane (2/3)
• Authors of publication: Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Ursini, Maurizio; Terraneo, Giancarlo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m387 - m388
• a: 11.634 ± 0.002 Å
• b: 11.634 ± 0.002 Å
• c: 84.945 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9957 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes