Crystallography Open Database

Information card for entry 7234013

Preview

Coordinates	7234013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 B Cu F4 N4 O P2
Calculated formula	C56 H42 B Cu F4 N4 O P2
SMILES	[Cu]12([P](c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[n]1n(c3cccc(n4c5c(cccc5)c5ccccc45)[n]23)ccc1.[B](F)(F)(F)[F-]
Title of publication	Highly efficient cuprous complexes with thermally activated delayed fluorescence and simplified solution process OLEDs using the ligand as host
Authors of publication	Xu-Lin Chen; Chen-Sheng Lin; Xiao-Yuan Wu; Rongming Yu; Teng Teng; Qi-Kai Zhang; Qing Zhang; Wen-Bing Yang; Can-Zhong Lu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	1187 - 1195
a	13.5909 ± 0.0007 Å
b	22.0914 ± 0.0009 Å
c	15.8659 ± 0.0007 Å
α	90°
β	92.711 ± 0.003°
γ	90°
Cell volume	4758.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
218595 (current)	2019-09-20	cif/ Adding structures of 7234013 via cif-deposit CGI script.	7234013.cif