Crystallography Open Database

Information card for entry 7063638

Preview

Coordinates	7063638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23.73 Cl2 N4 O2.87 Zn
Calculated formula	C26 H23.728 Cl2 N4 O2.864 Zn
Title of publication	New bis-pyrazolate zinc(ii) complexes as potential anticancer drugs: from structure to anticancer activity
Authors of publication	Hasić, Rušid; Serezlić, Majda Kolenović; Caković, Angelina; Bogojeski, Jovana; Nikodijević, Danijela; Milutinović, Milena; Stanojević, Aleksandra; Čavić, Milena; Egorov, Andrei V.; Komolkin, Andrei V.; Kornyakov, Ilya V.; Scheurer, Andreas; Puchta, Ralph; Soldatović, Tanja V.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	9
Pages of publication	3617 - 3632
a	10.2771 ± 0.0004 Å
b	10.795 ± 0.0003 Å
c	13.1138 ± 0.0004 Å
α	103.771 ± 0.003°
β	109.047 ± 0.003°
γ	102.951 ± 0.003°
Cell volume	1261.45 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299034 (current)	2025-04-05	cif/ Updating files of 7063638, 7063639 Original log message: Adding full bibliography for 7063638--7063639.cif.	7063638.cif
297637	2025-02-08	cif/ Adding structures of 7063638, 7063639 via cif-deposit CGI script.	7063638.cif