Information card for entry 7716869

Structure parameters

• Formula: C24 H48 F3 In N6 O3
• Calculated formula: C24 H48 F3 In N6 O3
• Title of publication: Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF₃(L1)] by ¹⁸F/¹⁹F isotopic exchange.
• Authors of publication: O'Callaghan, Charley; Greenacre, Victoria K.; King, Rhys P.; Grigg, Julian; Herniman, Julie M.; McRobbie, Graeme; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 14897 - 14909
• a: 14.2596 ± 0.0002 Å
• b: 14.2596 ± 0.0002 Å
• c: 26.9863 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4752.13 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0319
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No