Crystallography Open Database

Information card for entry 7716868

Preview

Coordinates	7716868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.5 H43 F3 Ga N6 O5
Calculated formula	C31.5 H43 F3 Ga N6 O5
Title of publication	Synthesis and properties of metal trifluoride complexes with amide-functionalised tacn macrocycles and radiofluorination of [GaF<sub>3</sub>(L1)] by <sup>18</sup>F/<sup>19</sup>F 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	17.0116 ± 0.0005 Å
b	12.0324 ± 0.0003 Å
c	17.3324 ± 0.0006 Å
α	90°
β	115.495 ± 0.004°
γ	90°
Cell volume	3202.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0855
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.0622
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295263 (current)	2024-10-06	cif/ Updating files of 7716867, 7716868, 7716869, 7716870, 7716871, 7716872 Original log message: Adding full bibliography for 7716867--7716872.cif.	7716868.cif
294202	2024-08-24	cif/ Adding structures of 7716867, 7716868, 7716869, 7716870, 7716871, 7716872 via cif-deposit CGI script.	7716868.cif