Crystallography Open Database

Information card for entry 1550538

Preview

Coordinates	1550538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H23 F6 Ir N5 P
Calculated formula	C30 H23 F6 Ir N5 P
SMILES	[Ir]123(c4c(cccc4)c4[n]2cccc4)([n]2c(c4[n]3cc[nH]4)cccc2)[n]2ccccc2c2c1cccc2.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation
Authors of publication	Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan
Journal of publication	Chemical Science
Year of publication	2019
a	10.9356 ± 0.0003 Å
b	15.8786 ± 0.0004 Å
c	33.0214 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5733.9 ± 0.3 Å³
Cell temperature	292 ± 1 K
Ambient diffraction temperature	292 ± 1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
213410 (current)	2019-02-01	cif/ Adding structures of 1550537, 1550538 via cif-deposit CGI script.	1550538.cif