Crystallography Open Database

Information card for entry 7716867

Preview

Coordinates	7716867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H37 Cl N6 O3
Calculated formula	C30 H37 Cl N6 O3
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	12.83 ± 0.0003 Å
b	23.5152 ± 0.0006 Å
c	9.6411 ± 0.0002 Å
α	90°
β	99.705 ± 0.002°
γ	90°
Cell volume	2867.09 ± 0.12 Å³
Cell temperature	102 ± 0.3 K
Ambient diffraction temperature	102 ± 0.3 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.0239
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

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.	7716867.cif
294202	2024-08-24	cif/ Adding structures of 7716867, 7716868, 7716869, 7716870, 7716871, 7716872 via cif-deposit CGI script.	7716867.cif