Crystallography Open Database

Information card for entry 1553273

Preview

Coordinates	1553273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.75 H69 Cl3 Cu3 N15 O3.75 S3
Calculated formula	C48.75 H69 Cl3 Cu3 N15 O3.75 S3
Title of publication	New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Authors of publication	Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
Journal of publication	Journal of medicinal chemistry
Year of publication	2019
Journal volume	62
Journal issue	2
Pages of publication	512 - 530
a	24.702 ± 0.004 Å
b	9.1959 ± 0.0014 Å
c	25.064 ± 0.005 Å
α	90°
β	100.971 ± 0.006°
γ	90°
Cell volume	5589.4 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1183
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1693
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
234036 (current)	2019-11-23	cif/ Adding structures of 1553273 via cif-deposit CGI script.	1553273.cif