Crystallography Open Database

Information card for entry 7034461

Preview

Coordinates	7034461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H27 Cl F Ir N6
Calculated formula	C41 H27 Cl F Ir N6
SMILES	[Ir]123(c4c(c5cccc[n]25)cccc4)(c2c(c4cccc[n]14)cccc2)[n]1c2c(ccc1)c1c(c4c2[n]3ccc4)ncn1c1ccc(F)cc1.[Cl-]
Title of publication	Cyclometalated iridium(iii) complexes with imidazo[4,5-f][1,10]phenanthroline derivatives for mitochondrial imaging in living cells.
Authors of publication	Jin, Chengzhi; Liu, Jiangping; Chen, Yu; Li, Guanying; Guan, Ruilin; Zhang, Pingyu; Ji, Liangnian; Chao, Hui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	16
Pages of publication	7538 - 7547
a	26.8319 ± 0.0006 Å
b	9.6267 ± 0.0003 Å
c	36.08 ± 0.0009 Å
α	90°
β	108.157 ± 0.001°
γ	90°
Cell volume	8855.5 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
180050 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44.	7034461.cif
138629	2015-06-07	cif/ Updating files of 7034461 Original log message: Adding full bibliography for 7034461.cif.	7034461.cif
134107	2015-03-19	cif/ Adding structures of 7034461 via cif-deposit CGI script.	7034461.cif