Crystallography Open Database

Information card for entry 1517414

Preview

Coordinates	1517414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 Cl N5 O2.25 Ru
Calculated formula	C27 H19 Cl N5 O2.25 Ru
SMILES	[Ru]123456(Cl)([n]7cccc8c9c([nH]c(n9)c9c%10c([nH]c9)cccc%10)c6ccc[n]1c6c78)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]16.O.O.O
Title of publication	Arene ruthenium(ii) complex, a potent inhibitor against proliferation, migration and invasion of breast cancer cells, reduces stress fibers, focal adhesions and invadopodia.
Authors of publication	Wu, Qiong; He, Jiangtu; Mei, Wenjie; Zhang, Zhao; Wu, Xiaohui; Sun, Fenyong
Journal of publication	Metallomics : integrated biometal science
Year of publication	2014
Journal volume	6
Journal issue	12
Pages of publication	2204 - 2212
a	27.1414 ± 0.0005 Å
b	27.1414 ± 0.0005 Å
c	7.5825 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5585.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517414.cif
128403	2014-12-06	cif/ Updating files of 1517414 Original log message: Adding full bibliography for 1517414.cif.	1517414.cif
122339	2014-08-22	cif/ Adding structures of 1517414 via cif-deposit CGI script.	1517414.cif