Crystallography Open Database

Information card for entry 7716869

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Coordinates	7716869.cif
Original paper (by DOI)	HTML

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; McRobbie, Graeme; Reid, Gillian
Journal of publication	Dalton Transactions
Year of publication	2024
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 Å³
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 F_obs	No

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