Information card for entry 7020115

Structure parameters

• Common name: (In(18-crown-6)(PhF)2)2(Al(OC(CF3)3)4)2.0.5PhF
• Chemical name: [In(18-crown-6)(PhF)2]2[Al(OC(CF3)3)4]2.0.5PhF
• Formula: C166 H141 Al4 F153 In4 O40
• Calculated formula: C166 H141 Al4 F153 In4 O40
• Title of publication: Isolated cationic crown ether complexes of gallium(I) and indium(I).
• Authors of publication: Higelin, Alexander; Haber, Christoph; Meier, Stefan; Krossing, Ingo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12011 - 12015
• a: 19.7449 ± 0.0003 Å
• b: 15.9218 ± 0.0002 Å
• c: 35.6744 ± 0.0006 Å
• α: 90°
• β: 95.932 ± 0.001°
• γ: 90°
• Cell volume: 11155.1 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No