Crystallography Open Database

Information card for entry 7063521

Preview

Coordinates	7063521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H62 N4 O9 S4 Zn2
Calculated formula	C44 H62 N4 O9 S4 Zn2
Title of publication	Synthesis, Characterization, and Biological Applications of Zinc(II) Complexes of Methylthiosalicylate Ligand
Authors of publication	Pratap, Rajesh; Kumari, Soni; Chaturvedi, Nishtha; Mishra, Rajni Kant; Bhattacharya, Subrato
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	8.7007 ± 0.0003 Å
b	16.6815 ± 0.0005 Å
c	17.3948 ± 0.0006 Å
α	90°
β	90.253 ± 0.003°
γ	90°
Cell volume	2524.67 ± 0.14 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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

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