Crystallography Open Database

Information card for entry 7716871

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Coordinates	7716871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H37 N7 O6
Calculated formula	C30 H37 N7 O6
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	20.4918 ± 0.0005 Å
b	14.3084 ± 0.0002 Å
c	20.9037 ± 0.0005 Å
α	90°
β	107.779 ± 0.003°
γ	90°
Cell volume	5836.4 ± 0.2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	4
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	0.0782
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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