Crystallography Open Database

Information card for entry 1529259

Preview

Coordinates	1529259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 F10 Ir N6 O2 P
Calculated formula	C44 H36 F10 Ir N6 O2 P
SMILES	[Ir]123([n]4c(c5c2cc(F)cc5F)cccc4)([n]2c(c4c3cc(F)cc4F)cccc2)[n]2c3ccccc3[nH]c2c2[n]1ccc1c2[nH]c2c1cccc2.[P](F)(F)(F)(F)(F)[F-].OCC.OCC
Title of publication	Cyclometalated iridium(iii) complexes as lysosome-targeted photodynamic anticancer and real-time tracking agents
Authors of publication	He, Liang; Li, Yi; Tan, Cai-Ping; Ye, Rui-Rong; Chen, Mu-He; Cao, Jian-Jun; Ji, Liang-Nian; Mao, Zong-Wan
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5409
a	8.5758 ± 0.0012 Å
b	14.436 ± 0.002 Å
c	17.199 ± 0.003 Å
α	79.43 ± 0.004°
β	89.672 ± 0.004°
γ	84.686 ± 0.005°
Cell volume	2084 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
170926 (current)	2015-12-09	cif/ Updating files of 1529258, 1529259 Original log message: Adding full bibliography for 1529258--1529259.cif.	1529259.cif
152454	2015-07-23	cif/ Adding structures of 1529258, 1529259 via cif-deposit CGI script.	1529259.cif