Crystallography Open Database

Information card for entry 7064400

Preview

Coordinates	7064400.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Fe2 N2 S6 Zn
Calculated formula	C34 H32 Fe2 N2 S6 Zn
Title of publication	Ferrocene-functionalized dithiocarbamate complexes bearing thiophene arms: synthesis, crystal structure, electrochemical characterization, in silico interaction profiling, and apoptosis induction in HeLa cells
Authors of publication	Makwana, Bhaveshkumar B.; Parmar, Heena A.; Khan, Adam N.; Padrón, José M.; Tarpada, Umesh P.
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	14
Pages of publication	5848 - 5864
a	15.7225 ± 0.0002 Å
b	15.8143 ± 0.0002 Å
c	30.8255 ± 0.0004 Å
α	90°
β	100.323 ± 0.001°
γ	90°
Cell volume	7540.4 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0985
Residual factor for significantly intense reflections	0.0878
Weighted residual factors for significantly intense reflections	0.2483
Weighted residual factors for all reflections included in the refinement	0.263
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
305714 (current)	2026-05-04	cif/ Adding structures of 7064400 via cif-deposit CGI script.	7064400.cif