Crystallography Open Database

Information card for entry 7233957

Preview

Coordinates	7233957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H36 B Cu F4 N5 P
Calculated formula	C35 H36 B Cu F4 N5 P
SMILES	[Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3c(cccc3Cn3[n]1c(cc3C)C)Cn1[n]2c(cc1C)C.[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	20.5475 ± 0.0013 Å
b	10.2304 ± 0.0006 Å
c	32.811 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6897.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1386
Residual factor for significantly intense reflections	0.1001
Weighted residual factors for significantly intense reflections	0.2609
Weighted residual factors for all reflections included in the refinement	0.2945
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
218540 (current)	2019-09-19	cif/ Adding structures of 7233957 via cif-deposit CGI script.	7233957.cif