Crystallography Open Database

Information card for entry 7233481

Preview

Coordinates	7233481.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 Ir N3
Calculated formula	C33 H24 Ir N3
SMILES	[Ir]123(c4c(c5cccc[n]15)cccc4)([n]1ccccc1c1c2cccc1)[n]1ccccc1c1c3cccc1
Title of publication	Synthesis of all-deuterated tris(2-phenylpyridine)iridium for highly stable electrophosphorescence: the "deuterium effect"
Authors of publication	Ping Wang; Fei-Fei Wang; Yi Chen; Qiang Niu; Lei Lu; Hong-Ming Wang; Xi-Cun Gao; Bin Wei; Hong-Wei Wu; Xin Cai; De-Chun Zou
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	4821 - 4825
a	23.504 ± 0.003 Å
b	23.504 ± 0.003 Å
c	9.1114 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5033.5 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	81
Hermann-Mauguin space group symbol	P -4
Hall space group symbol	P -4
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0531
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
217741 (current)	2019-08-27	cif/ Adding structures of 7233481 via cif-deposit CGI script.	7233481.cif