Crystallography Open Database

Information card for entry 7056974

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Coordinates	7056974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Ba Cl2 O8
Calculated formula	C16 H16 Ba Cl2 O8
Title of publication	Facile microwave synthesis, structural diversity and herbicidal activity of six novel alkaline-earth metal complexes (AECs) based on skeletal isomerization chlorophenoxyacetic acids
Authors of publication	Xu, Xiuling; Hu, Fan; Ma, Yuwei; Gao, Jinming; Shuai, Qi
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	6
Pages of publication	4155
a	16.999 ± 0.003 Å
b	7.709 ± 0.0014 Å
c	13.979 ± 0.003 Å
α	90°
β	92.294 ± 0.003°
γ	90°
Cell volume	1830.4 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0418
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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