Crystallography Open Database

Information card for entry 1550939

Preview

Coordinates	1550939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Br4 Ho N5 O7
Calculated formula	C32 H24 Br4 Ho N5 O7
SMILES	[Ho]123(ON(=O)=[O]1)(Oc1c(Br)cc(Br)c4ccc(nc14)C)(Oc1c(Br)cc(Br)c4ccc([n]3c14)C)[n]1c(c3[n]2ccc(OC)c3)cc(OC)cc1
Title of publication	Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.
Authors of publication	Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua
Journal of publication	Metallomics : integrated biometal science
Year of publication	2019
Journal volume	11
Journal issue	5
Pages of publication	1005 - 1015
a	13.5152 ± 0.0007 Å
b	17.1668 ± 0.0008 Å
c	16.0298 ± 0.0008 Å
α	90°
β	105.757 ± 0.002°
γ	90°
Cell volume	3579.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1234
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2148
Weighted residual factors for all reflections included in the refinement	0.2324
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224653 (current)	2019-11-08	cif/ Updating files of 1550936, 1550937, 1550938, 1550939, 1550940 Original log message: Adding full bibliography for 1550936--1550940.cif.	1550939.cif
214759	2019-04-25	cif/ Adding structures of 1550936, 1550937, 1550938, 1550939, 1550940 via cif-deposit CGI script.	1550939.cif