Crystallography Open Database

Information card for entry 2023540

2023539 << 2023540 >> 2023541

Preview

Coordinates	2023540.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1<i>H</i>-1,2,4-triazol-5-yl]acetate}trinitratolanthanum(III)
Formula	C24 H28 La N11 O13
Calculated formula	C24 H28 La N11 O13
Title of publication	Crystal structure and supramolecular features of bis{ethyl 2-[1-methyl-3-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]acetate}trinitratolanthanum(III)
Authors of publication	Halushchenko, Valeriia; Korovin, Oleksandr; Rusakova, Natalya; Dyakonenko, Viktoriya; Khomenko, Dmytro; Lampeka, Rostyslav; Smola, Serhii
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	7
a	20.9094 ± 0.0015 Å
b	9.0361 ± 0.0005 Å
c	19.3753 ± 0.0013 Å
α	90°
β	122.36 ± 0.008°
γ	90°
Cell volume	3092.2 ± 0.4 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300223 (current)	2025-06-26	cif/ Adding structures of 2023540 via cif-deposit CGI script.	2023540.cif