Crystallography Open Database

Information card for entry 7120855

7120854 << 7120855 >> 7120856

Preview

Coordinates	7120855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 Cl F6 N2 P Ru
Calculated formula	C24 H28 Cl F6 N2 P Ru
SMILES	[Ru]123456([cH]7[cH]1[cH]2[cH]3[cH]4[cH]57)(Cl)[n]1ccccc1C=[N]6c1c(cccc1C(C)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Half-sandwich Ruthenium(II) Complexes Containing N^N chelated Imino-pyridyl Ligands That Are Selectively Toxic to Cancer Cells
Authors of publication	Tian, Meng; Li, Juanjuan; zhang, shumiao; Guo, Lihua; He, Xiangdong; Kong, Deliang; Zhang, Hairong; Liu, Zhe
Journal of publication	Chemical Communications
Year of publication	2017
a	16.4797 ± 0.0011 Å
b	9.7608 ± 0.0006 Å
c	17.639 ± 0.0012 Å
α	90°
β	115.521 ± 0.001°
γ	90°
Cell volume	2560.5 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
202934 (current)	2017-11-08	cif/ Adding structures of 7120855 via cif-deposit CGI script.	7120855.cif