Crystallography Open Database

Information card for entry 7233131

Preview

Coordinates	7233131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H35 Ir N2 O4
Calculated formula	C41 H35 Ir N2 O4
SMILES	c1ccccc1Oc1cc2c(cc1)c1ccc(c[n]1[Ir]132(c2cc(ccc2c2ccc(c[n]12)C)Oc1ccccc1)OC(=CC(C)=[O]3)C)C
Title of publication	Highly efficient iridium(III) phosphors with phenoxy-substituted ligands and their high-performance OLEDs
Authors of publication	Guiping Tan; Shuming Chen; Ning Sun; Yanhu Li; Daniel Fortin; Wai-Yeung Wong; Hoi-Sing Kwok; Dongge Ma; Hongbin Wu; Lixiang Wang; Pierre D. Harvey
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	808 - 821
a	10.1672 ± 0.0011 Å
b	11.4723 ± 0.0013 Å
c	29.66 ± 0.003 Å
α	90°
β	95.018 ± 0.002°
γ	90°
Cell volume	3446.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0525
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0725
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
217041 (current)	2019-07-15	cif/ Adding structures of 7233131 via cif-deposit CGI script.	7233131.cif