Crystallography Open Database

Information card for entry 7233451

Preview

Coordinates	7233451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H38 Au P3 S
Calculated formula	C48 H38 Au P3 S
SMILES	[Au]12(Sc3c([P]2(c2ccccc2)c2ccccc2)cccc3)[P](c2ccccc2)(c2ccccc2)c2ccccc2[P]1(c1ccccc1)c1ccccc1
Title of publication	Application of neutral d10 coinage metal complexes with an anionic bidentate ligand in delayed fluorescence-type organic light-emitting diodes
Authors of publication	Masahisa Osawa; Isao Kawata; Ryuji Ishii; Satoshi Igawa; Masashi Hashimoto; Mikio Hoshino
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	4375 - 4383
a	10.8554 ± 0.0018 Å
b	12.0178 ± 0.0018 Å
c	15.617 ± 0.002 Å
α	73.052 ± 0.006°
β	88.148 ± 0.009°
γ	80.401 ± 0.007°
Cell volume	1921.3 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
217721 (current)	2019-08-26	cif/ Adding structures of 7233451 via cif-deposit CGI script.	7233451.cif