Crystallography Open Database

Information card for entry 7233959

Preview

Coordinates	7233959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H44 B Cu F4 N5 P
Calculated formula	C55 H44 B Cu F4 N5 P
SMILES	[Cu]12([n]3c(cccc3Cn3[n]2c(cc3c2ccccc2)c2ccccc2)Cn2[n]1c(cc2c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
Title of publication	Phosphorescent Cu(I) complexes based on bis(pyrazol-1-yl-methyl)-pyridine derivatives for organic light-emitting diodes
Authors of publication	Fengshou Wu; Jie Li; Hongbo Tong; Zaoying Li; Chihaya Adachi; Adam Langlois; Pierre D. Harvey; Li Liu; Wai-Yeung Wong; Wai-Kwok Wong; Xunjin Zhu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	138 - 146
a	13.96 ± 0.04 Å
b	14.57 ± 0.02 Å
c	14.67 ± 0.02 Å
α	117.544 ± 0.019°
β	99.86 ± 0.03°
γ	95.08 ± 0.03°
Cell volume	2558 ± 9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1926
Residual factor for significantly intense reflections	0.0964
Weighted residual factors for significantly intense reflections	0.2268
Weighted residual factors for all reflections included in the refinement	0.2854
Goodness-of-fit parameter for all reflections included in the refinement	0.831
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
218542 (current)	2019-09-19	cif/ Adding structures of 7233959 via cif-deposit CGI script.	7233959.cif