Crystallography Open Database

Information card for entry 7063552

Preview

Coordinates	7063552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 F2 O2 S4 Zn
Calculated formula	C20 H16 F2 O2 S4 Zn
Title of publication	Anti-leishmanial study of discrete tetrahedral zinc(ii) β-oxodithioester complexes
Authors of publication	Yadav, Chote Lal; Anamika,; Singh, Rajan; Kumar, Akhilesh; Singh, Rakesh K.; Drew, Michael G. B.; Manar, Krishna K.; Singh, Nanhai
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	2
Pages of publication	484 - 496
a	17.3481 ± 0.0016 Å
b	51.429 ± 0.005 Å
c	4.7643 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4250.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0189
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063552.html