Crystallography Open Database

Information card for entry 7705420

Preview

Coordinates	7705420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H27 N7 O4 Ru
Calculated formula	C40 H27 N7 O4 Ru
SMILES	[Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1cccc2c1c1[n]3cccc1cc2C#Cc1ccc([O-])cc1.O=N(=O)[O-]
Title of publication	Photoinduced synergistic cytotoxicity towards cancer cells <i>via</i> Ru(II) complexes.
Authors of publication	Han, Zhong; Chen, Yuncong; Wang, Yanjun; Shi, Xiangchao; Yuan, Hao; Bai, Yang; Chen, Zhongyan; Fang, Hongbao; He, Weijiang; Guo, Zijian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	40
Pages of publication	13954 - 13957
a	13.31 ± 0.05 Å
b	14.41 ± 0.05 Å
c	14.49 ± 0.06 Å
α	97.92 ± 0.07°
β	102.57 ± 0.07°
γ	117.39 ± 0.05°
Cell volume	2316 ± 15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2097
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.2175
Weighted residual factors for all reflections included in the refinement	0.2661
Goodness-of-fit parameter for all reflections included in the refinement	0.831
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
258849 (current)	2020-11-06	cif/ Updating files of 7705420 Original log message: Adding full bibliography for 7705420.cif.	7705420.cif
256417	2020-09-15	cif/ Adding structures of 7705420 via cif-deposit CGI script.	7705420.cif