Crystallography Open Database

Information card for entry 4325841

Preview

Coordinates	4325841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 F3 Ir N4 O3 S3
Calculated formula	C31 H22 F3 Ir N4 O3 S3
SMILES	[Ir]12(c3ccccc3c3sc4c(cccc4)[n]13)(c1ccccc1c1sc3c(cccc3)[n]21)([N]#CC)[N]#CC.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Ratiometric Phosphorescence Imaging of Hg(II) in Living Cells Based on a Neutral Iridium(III) Complex
Authors of publication	Yongquan Wu; Hao Jing; Zesheng Dong; Qiang Zhao; Huazhou Wu; Fuyou Li
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7412 - 7420
a	13.054 ± 0.003 Å
b	13.683 ± 0.003 Å
c	17.743 ± 0.004 Å
α	90°
β	91.47 ± 0.03°
γ	90°
Cell volume	3168.2 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
179361 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58.	4325841.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325841.cif
46877	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325841 via cif-deposit CGI script.	4325841.cif