Crystallography Open Database

Information card for entry 1516609

Preview

Coordinates	1516609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 F10 Ir N6 P
Calculated formula	C28 H18 F10 Ir N6 P
SMILES	[Ir]123([n]4c([nH]cc4)c4[n]1cc[nH]4)([n]1c(cccc1)c1c2cc(F)cc1F)[n]1c(cccc1)c1c3cc(F)cc1F.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes.
Authors of publication	Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli
Journal of publication	Faraday discussions
Year of publication	2014
Journal volume	174
Pages of publication	165 - 182
a	25.778 ± 0.006 Å
b	15.759 ± 0.004 Å
c	16.308 ± 0.004 Å
α	90°
β	105.245 ± 0.004°
γ	90°
Cell volume	6392 ± 3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1819
Weighted residual factors for all reflections included in the refinement	0.1947
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516609.cif
129400	2015-01-06	cif/ Updating files of 1516609, 1516610 Original log message: Adding full bibliography for 1516609--1516610.cif.	1516609.cif
116496	2014-06-13	cif/ Adding structures of 1516609, 1516610 via cif-deposit CGI script.	1516609.cif