Crystallography Open Database

Information card for entry 1550940

Preview

Coordinates	1550940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H24 Br4 N5 O6 Sm
Calculated formula	C31 H24 Br4 N5 O6 Sm
SMILES	[Sm]1234(Oc5c(Br)cc(Br)c6c5[n]2ccc6)(Oc2c5[n]3cccc5c(Br)cc2Br)(ON(=[O]1)=O)([OH]C)[n]1ccc(cc1c1[n]4ccc(c1)C)C
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	9.7421 ± 0.0004 Å
b	16.9016 ± 0.0006 Å
c	25.0742 ± 0.0009 Å
α	72.958 ± 0.001°
β	85.719 ± 0.001°
γ	74.795 ± 0.001°
Cell volume	3809.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1039
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
224653 (current)	2019-11-08	cif/ Updating files of 1550936, 1550937, 1550938, 1550939, 1550940 Original log message: Adding full bibliography for 1550936--1550940.cif.	1550940.cif
216710	2019-07-03	Fixing Z values and formulae	1550940.cif
214759	2019-04-25	cif/ Adding structures of 1550936, 1550937, 1550938, 1550939, 1550940 via cif-deposit CGI script.	1550940.cif