Crystallography Open Database

Information card for entry 3000196

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Structure parameters

Formula	C10 H20 N10 O9 S Zn
Calculated formula	C10 H20 N10 O9 S Zn
Title of publication	Zinc 1,2,4-triazolo[1,5-a]pyrimidine Complexes: Synthesis, Structural Characterization and their Effect Against Chagas Disease.
Authors of publication	José Manuel Méndez-Arriaga; Erika Rubio-Mirallas; Miguel Quirós; Manuel Sánchez-Moreno
Journal of publication	Medicinal chemistry (Shariqah (United Arab Emirates))
Year of publication	2022
Journal volume	18
Journal issue	4
Pages of publication	444 - 451
a	7.5409 ± 0.0003 Å
b	21.4401 ± 0.0008 Å
c	11.7364 ± 0.0005 Å
α	90°
β	91.352 ± 0.002°
γ	90°
Cell volume	1896.99 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0357
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	0.892
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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