Crystallography Open Database

Information card for entry 7716870

Preview

Coordinates	7716870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H34.13 F3 Ga N4 O1.07
Calculated formula	C20 H34 F3 Ga 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	33.4699 ± 0.0007 Å
b	33.4699 ± 0.0007 Å
c	10.3165 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	10008.6 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0174
Residual factor for significantly intense reflections	0.0136
Weighted residual factors for significantly intense reflections	0.0264
Weighted residual factors for all reflections included in the refinement	0.027
Goodness-of-fit parameter for all reflections included in the refinement	1.0314
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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