Crystallography Open Database

Information card for entry 2023198

2023197 << 2023198 >> 2023199

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Coordinates	2023198.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophenyl)-1<i>H</i>-1,2,4-triazol-3-yl]acetato-κ^2^<i>O</i>:<i>O</i>']
Formula	C11 H11 N3 O6 U
Calculated formula	C11 H11 N3 O6 U
Title of publication	Crystal structure of catena-poly[[methanoldioxidouranium(VI)]-μ-2-[5-(2-oxidophenyl)-1H-1,2,4-triazol-3-yl]acetato-κ2 O:O′]
Authors of publication	Vashchenko, Oleksandr V.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Stoica, Alexandru-Constantin; Vassilyeva, Olga Yu.; Lampeka, Rostyslav D.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	8
a	10.9966 ± 0.0006 Å
b	13.7147 ± 0.001 Å
c	17.9345 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2704.8 ± 0.3 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0561
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
293407 (current)	2024-07-13	cif/ Adding structures of 2023198 via cif-deposit CGI script.	2023198.cif