Crystallography Open Database

Information card for entry 7063522

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Coordinates	7063522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N2 O4 S2 Zn
Calculated formula	C28 H22 N2 O4 S2 Zn
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	9.2575 ± 0.0004 Å
b	29.501 ± 0.0008 Å
c	10.2104 ± 0.0004 Å
α	90°
β	112.315 ± 0.005°
γ	90°
Cell volume	2579.69 ± 0.19 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	0.1258
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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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