Crystallography Open Database

Information card for entry 7703083

Preview

Coordinates	7703083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H27 Cl2 Cu N3 O
Calculated formula	C20 H27 Cl2 Cu N3 O
Title of publication	Cu(ii)-TACN complexes selectively induce antitumor activity in HepG-2 cells via DNA damage and mitochondrial-ROS-mediated apoptosis.
Authors of publication	Liu, Ming; Song, Xue-Qing; Wu, Yuan-Di; Qian, Jing; Xu, Jing-Yuan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	1
Pages of publication	114 - 123
a	8.1762 ± 0.0003 Å
b	12.406 ± 0.0004 Å
c	40.2745 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4085.2 ± 0.2 Å³
Cell temperature	154.4 ± 0.2 K
Ambient diffraction temperature	154.4 ± 0.2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0349
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
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
246373 (current)	2020-01-01	cif/ Adding structures of 7703083 via cif-deposit CGI script.	7703083.cif