Crystallography Open Database

Information card for entry 7118954

Preview

Coordinates	7118954.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H48 Cl2 Mn N8 O8
Calculated formula	C50 H48 Cl2 Mn N8 O8
SMILES	[Mn]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(N(CC)CC)cc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(N(CC)CC)cc1)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand
Authors of publication	Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng
Journal of publication	Med. Chem. Commun.
Year of publication	2016
Journal volume	7
Journal issue	6
Pages of publication	1132
a	19.0394 ± 0.0004 Å
b	15.14 ± 0.0004 Å
c	17.3328 ± 0.0005 Å
α	90°
β	108.185 ± 0.002°
γ	90°
Cell volume	4746.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296.15 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	0.0924
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1939
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	1.0801
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
183715 (current)	2016-06-18	cif/ Updating files of 7118953, 7118954 Original log message: Adding full bibliography for 7118953--7118954.cif.	7118954.cif
181503	2016-04-05	cif/ Adding structures of 7118953, 7118954 via cif-deposit CGI script.	7118954.cif