Crystallography Open Database

Information card for entry 4003454

Preview

Coordinates	4003454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H15 N3 O2 Pt
Calculated formula	C26 H15 N3 O2 Pt
SMILES	[Pt]123c4c(ccc5c4N(c4c5cccc4)c4cccc[n]34)Oc3cccc(c4[n]2cco4)c13
Title of publication	Tetradentate Platinum(II) Complexes for Highly Efficient Phosphorescent Emitters and Sky Blue OLEDs
Authors of publication	Li, Guijie; Zhao, Xiangdong; Fleetham, Tyler; Chen, Qidong; Zhan, Feng; Zheng, Jianbing; Yang, Yun-Fang; Lou, Weiwei; Yang, Yuning; Fang, Kun; Shao, Zongzhou; Zhang, Qisheng; She, Yuanbin
Journal of publication	Chemistry of Materials
Year of publication	2020
a	19.991 ± 0.007 Å
b	7.549 ± 0.003 Å
c	25.31 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	3820 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
246480 (current)	2020-01-04	cif/ Adding structures of 4003454 via cif-deposit CGI script.	4003454.cif