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Information card for entry 7716872
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Coordinates | 7716872.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [FeF3(1,4-diisopropyl-7-phenylacetamide-1,4,7-triazacyclononane)] |
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Formula | C20 H34 F3 Fe N4 O |
Calculated formula | C20 H34 F3 Fe N4 O |
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; McRobbie, Graeme; Reid, Gillian |
Journal of publication | Dalton Transactions |
Year of publication | 2024 |
a | 33.7472 ± 0.0005 Å |
b | 33.7472 ± 0.0005 Å |
c | 10.2893 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 10148.3 ± 0.3 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0574 |
Weighted residual factors for all reflections included in the refinement | 0.0614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1033 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7716872.html
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