Crystallography Open Database

Information card for entry 7063639

Preview

Coordinates	7063639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H29.92 Cl2 N5 O2.46 Zn
Calculated formula	C19 H29.918 Cl2 N5 O2.459 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	10.0761 ± 0.0004 Å
b	11.1556 ± 0.0005 Å
c	11.5131 ± 0.0004 Å
α	67.436 ± 0.003°
β	84.168 ± 0.003°
γ	75.427 ± 0.004°
Cell volume	1156.6 ± 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	0.037
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	7063639.cif
297637	2025-02-08	cif/ Adding structures of 7063638, 7063639 via cif-deposit CGI script.	7063639.cif