Crystallography Open Database

Information card for entry 1516610

Preview

Coordinates	1516610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 F10 Ir N6 P
Calculated formula	C36 H24 F10 Ir N6 P
SMILES	[Ir]123([n]4c5n(cc4)Cc4c(Cn6c5[n]1cc6)cccc4)([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	9.1029 ± 0.0017 Å
b	12.8618 ± 0.0015 Å
c	15.38 ± 0.003 Å
α	69.58 ± 0.03°
β	88.64 ± 0.04°
γ	71.81 ± 0.03°
Cell volume	1595.8 ± 0.7 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1357
Weighted residual factors for all reflections included in the refinement	0.3805
Goodness-of-fit parameter for all reflections included in the refinement	1.647
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	1516610.cif
129400	2015-01-06	cif/ Updating files of 1516609, 1516610 Original log message: Adding full bibliography for 1516609--1516610.cif.	1516610.cif
116496	2014-06-13	cif/ Adding structures of 1516609, 1516610 via cif-deposit CGI script.	1516610.cif